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 | |
|---|---|---|---|---|
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.37 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB known ✓ | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.36 |
| ▸ | TAF1 | P21675 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | KDM6A | O15550 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL100263 | 0.97 | CRBN (0.44) | CRBNMEN1KMT2ABRD4BRPF1 | |
| SCHEMBL10569882 | 0.73 | CRBN (0.41) | CRBNMEN1KMT2ABRD4BRPF1 | |
| SCHEMBL2078819 | 0.73 | CRBN (0.37) | CRBNBRD4BRPF1BRD9TAF1 | |
| SCHEMBL17271399 | 0.73 | LPO (0.48) | CRBNMEN1KMT2ABRD4BRPF1 | |
| SCHEMBL20209708 | 0.70 | CA12 (0.32) | CRBNMEN1KMT2ABRD4BRPF1 | |
| SCHEMBL15744990 | 0.70 | KMT2A (0.37) | CRBNKMT2ABRD4BRPF1BRD9 | |
| SCHEMBL9120286 | 0.70 | POLB (0.36) | MEN1KMT2ABRD4BRPF1BRD9 | |
| SCHEMBL5487196 | 0.69 | HSD17B13 (0.47) | HSD17B13 | |
| SCHEMBL2211531 | 0.69 | CRBN (0.38) | CRBNKDM4ECYP2C9KDM6AKDM4A | |
| SCHEMBL11238862 | 0.69 | CRBN (0.38) | CRBNKDM4ECYP2C9KDM6AKDM4A |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6916606-B2 | Electrochemiluminescent assays | BIOVERIS CORPORATION (US) | 2005-07-12 | — | — | US | disclosed |
| US-20050106652-A1 | Detecting coliform bacteria in food liquids and/or homogenates; immunoassay | BIOVERIS CORPORATION | 2005-05-19 | — | — | US | disclosed |
| US-20050009843-A1 | Medicine for inhibiting drug elimination pump | TRINE PHARMACEUTICALS, INC. | 2005-01-13 | — | — | US | disclosed |
| EP-0916394-B1 | Method of manufacturing modified particles and manufacturing device therefor | SHARP KK (JP) | 2004-03-10 | — | — | EP | disclosed |
| EP-1389463-A1 | MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-02-18 | — | — | EP | disclosed |
| EP-0658564-B1 | Electroluminescent compounds and intermediates in their synthesis | IGEN INT INC (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6316607-B1 | AS LABLES IN DETECTING AND QUANTIFYING CHEMICAL, BIOCHEMICAL, AND BIOLOGICAL SUBSTANCES, DRUGS, METABOLITES, MICROORGANISMS | IGEN INTERNATIONAL, INC. | 2001-11-13 | — | — | US | disclosed |
| US-6194487-B1 | EXPOSURE OF PARTICLES TO SUPERSATURATED VAPOR OF MONOMERS, CONDENSATION AND POLYMERIZATION ON THE SURFACE | SHARP KABUSHIKI KAISHA (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-0916394-A2 | Method of manufacturing modified particles and manufacturing device therefor | Sharp Kabushiki Kaisha (JP) | 1999-05-19 | — | — | EP | disclosed |
| CN-1032815-C | Selective adenosine receptor agents | MERRELL DOW PHARMA (US) | 1996-09-18 | — | — | CN | disclosed |
| EP-0265519-B1 | ELECTROCHEMILUMINESCENT ASSAYS | IGEN INC (US) | 1995-09-13 | — | — | EP | disclosed |
| EP-0658564-A1 | Electroluminescent compounds and intermediates in their synthesis | IGEN, INC. (US) | 1995-06-21 | — | — | EP | disclosed |
| EP-0647849-A2 | Detecting the presence of analytes in a sample | IGEN, INC. (US) | 1995-04-12 | — | — | EP | disclosed |
| CN-1055181-A | SELECTIVE ADENOSINE RECEPTOR AGENTS | MERRELL DOW PHARMA (US) | 1991-10-09 | — | — | CN | disclosed |
| CN-1048546-A | Substituted imidazo-fused 6 unit heterocycle as angiotensin II antagonism medicine | MERCK & CO INC (US) | 1991-01-16 | — | — | CN | disclosed |
| EP-0265519-A4 | ELECTROCHEMILUMINESCENT ASSAYS. | IGEN INC (US) | 1990-05-14 | — | — | EP | disclosed |
| WO-1989005978-A1 | LAYERED IMMUNOASSAY DEVICE CONTAINING FLUID FLOW BARRIER | LIOTTA LANCE A (US) | 1989-06-29 | — | — | WO | disclosed |
| EP-0265519-A1 | ELECTROCHEMILUMINESCENT ASSAYS. | IGEN INC (US) | 1988-05-04 | — | — | EP | disclosed |
| WO-1987006706-A1 | ELECTROCHEMILUMINESCENT ASSAYS | IGEN, INC. (US) | 1987-11-05 | — | — | 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-20050009843-A1 | Medicine for inhibiting drug elimination pump | ABCB11, ATP6AP1, HRH2 | CRBN 2905/4885MEN1 3567/4885PIK3CD 1303/4885 |
“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.