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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.53 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.53 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.53 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TERT | O14746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DTYMK | P23919 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4368922 | 0.98 | CHRM2 (0.52) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| SCHEMBL17313885 | 0.98 | CHRM2 (0.55) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| SCHEMBL578032 | 0.98 | CHRM2 (0.55) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| SCHEMBL5604673 | 0.98 | CHRM2 (0.55) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| SCHEMBL31505409 | 0.98 | CHRM2 (0.55) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| SCHEMBL28725913 | 0.97 | CHRM2 (0.53) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| Lithium SCHEMBL31244898 | 0.97 | CHRM2 (0.53) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| Hydrochloric Acid SCHEMBL209696 | 0.97 | CHRM2 (0.53) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| SCHEMBL21458936 | 0.85 | CNR1 (0.45) | CHRM2CHRM4CHRM1CHRM3USP2 | |
| SCHEMBL16132715 | 0.84 | CHRM2 (0.44) | CHRM2CHRM4CHRM1CHRM3USP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022220227-A1 | TETRAHYDROPYRIDOPYRIMIDINE COMPOUND | エーザイ・アール・アンド・ディー・マネジメント株式会社 | 2022-10-20 | — | — | WO | disclosed |
| US-20080200460-A1 | Chemical Compounds | BROWN DEARG | 2008-08-21 | — | — | US | disclosed |
| EP-1833792-A1 | SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS CCR5 MODULATORS | AstraZeneca AB (SE) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006067385-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2006-06-29 | — | — | 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 (1 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-20080200460-A1 | Chemical Compounds | CCR5, CXCR4, CXCR5 | CHRM2 158/4885CHRM4 124/4885CHRM1 211/4885 |
“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.