Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA2 | P00918 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 3/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL139058 | 1.00 | CA1 (0.61) | CA1CA2CA9CA12CA4 | |
| SCHEMBL34520 | 0.98 | CA1 (0.64) | CA1CA2CA9CA12CA4 | |
| Sulfuric Acid SCHEMBL20984550 | 0.95 | CA1 (0.61) | CA1CA2CA9CA12CA4 | |
| Bromide SCHEMBL20984485 | 0.95 | CA1 (0.61) | CA1CA2CA9CA12CA4 | |
| Hydrochloric Acid SCHEMBL20984295 | 0.95 | CA1 (0.61) | CA1CA2CA9CA12CA4 | |
| Ammonia Solution, Strong SCHEMBL11352756 | 0.95 | CA1 (0.61) | CA1CA2CA9CA12CA4 | |
| SCHEMBL513541 | 0.95 | CA1 (0.61) | CA1CA2CA9CA12CA4 | |
| Phosphoric Acid SCHEMBL20984425 | 0.90 | CA1 (0.55) | CA1CA2CA9CA12CA4 | |
| Oxalic Acid SCHEMBL20984369 | 0.90 | CA12 (0.55) | CA1CA2CA9CA12CA4 | |
| Nitric Acid SCHEMBL20984254 | 0.88 | CA1 (0.53) | CA1CA2CA9CA12CA4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12624391-B2 | Cyanine dyes | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2026-05-12 | — | — | US | disclosed |
| US-12466836-B2 | Spiropyran hydrogels and light-driven expansion thereof | NORTHWESTERN UNIVERSITY (US) | 2025-11-11 | — | — | US | disclosed |
| CN-116514116-B | Construction of capsaicin electrochemical sensor by Ni-reinforced CNTs/sulfo rGO composite material | 三只松鼠股份有限公司 | 2025-02-07 | — | — | CN | disclosed |
| US-12061203-B2 | Fluorescent compound with cyanuric-hydroxide and preparation method thereof | BIOACTS CORPORATION (KR) | 2024-08-13 | — | — | US | disclosed |
| CN-114805310-B | Fluorescent compounds containing hydroxy-substituted triazines and methods of making the same | 佰爱特有限公司 | 2024-07-26 | — | — | CN | disclosed |
| US-20240201177-A1 | FLUORESCENT COMPOUND FOR IMMUNOHISCHEMISTRY AND DIAGNOSIS COMPOSITION FOR DETECTING BIOLOGICAL MATERIAL COMPRISING THE SAME | BIOACTS CORPORATION (KR) | 2024-06-20 | — | — | US | disclosed |
| US-20240132948-A1 | Cyanine Dyes | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. | 2024-04-25 | — | — | US | disclosed |
| US-20230270890-A1 | FLUORESCENT COMPOUND FOR DETECTING BIOLOGICAL MATERIAL AND PREPARATION METHOD THEREOF | BIOACTS CORPORATION (KR) | 2023-08-31 | — | — | US | disclosed |
| CN-116514116-A | Construction of capsaicin electrochemical sensor by Ni-reinforced CNTs/sulfo rGO composite material | 三只松鼠股份有限公司 | 2023-08-01 | — | — | CN | disclosed |
| US-11624089-B2 | Cyanine dyes | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2023-04-11 | — | — | US | disclosed |
| EP-1885717-B1 | SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES | MAX DELBRUECK CENTRUM (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-7868185-B2 | Shp-2 inhibitors and pharmaceutical compositions comprising them | MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) | 2011-01-11 | — | — | US | disclosed |
| US-20080194563-A1 | Shp-2 Inhibitors, Pharmaceutical Compositons Comprising Them and Their Use For Treating Phosphatase-Mediated Diseases | MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) | 2008-08-14 | — | — | US | disclosed |
| EP-1885717-A1 | SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES | MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006128909-A1 | SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2006-12-07 | — | — | WO | disclosed |
| US-20060009445-A1 | Tumor-inhibiting anellated azepinone derivatives | FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH | 2006-01-12 | — | — | US | disclosed |
| EP-0487718-B1 | NUCLEIC ACID PROBES with negatively charged haptens which are attached to the probe via a hydrazine binding moiety | BECKMAN INSTRUMENTS INC (US) | 1997-11-05 | — | — | EP | disclosed |
| US-5552541-A | Haptenic probes for detecting capture polynucleotides | BECKMAN INSTRUMENTS, INC. (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0487718-A1 | NUCLEIC ACID PROBES with negatively charged haptens which are attached to the probe via a hydrazine binding moiety | BECKMAN INSTRUMENTS, INC. (US) | 1992-06-03 | — | — | EP | disclosed |
| WO-1991019729-A1 | NUCLEIC ACID PROBES AND PROTEIN PROBES | BECKMAN INSTRUMENTS, INC. (US) | 1991-12-26 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20240132948-A1 | Cyanine Dyes | ABCG2, IK, ACR | MEN1 2288/4885CA1 297/4885CA2 376/4885 |
| US-20080194563-A1 | Shp-2 Inhibitors, Pharmaceutical Compositons Comprising Them and Their Use For Treating Phosphatase-Mediated Diseases | PTPN2, PTPRJ, PTPRS | MEN1 856/4885CA1 2962/4885CA2 742/4885 |
| US-11624089-B2 | Cyanine dyes | ABCG2, IK, ACR | MEN1 2288/4885CA1 297/4885CA2 376/4885 |
| US-20230270890-A1 | FLUORESCENT COMPOUND FOR DETECTING BIOLOGICAL MATERIAL AND PREPARATION METHOD THEREOF | F12, MRGPRX4, C3AR1 | MEN1 33/4885CA1 553/4885CA2 1114/4885 |
| US-12466836-B2 | Spiropyran hydrogels and light-driven expansion thereof | CRY1, PASK, VCL | MEN1 3960/4885CA1 3927/4885CA2 2123/4885 |
| US-20060009445-A1 | Tumor-inhibiting anellated azepinone derivatives | AZI2, COX15, ERAL1 | MEN1 2229/4885CA1 2329/4885CA2 1656/4885 |
| US-20240201177-A1 | FLUORESCENT COMPOUND FOR IMMUNOHISCHEMISTRY AND DIAGNOSIS COMPOSITION FOR DETECTING BIOLOGICAL MATERIAL COMPRISING THE SAME | H1-0, H1-3, H1-4 | MEN1 58/4885CA1 154/4885CA2 1262/4885 |
| US-12624391-B2 | Cyanine dyes | POLL, POLR2E, POLR2H | MEN1 4800/4885CA1 1460/4885CA2 1892/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.