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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B known ✓ | P29275 | 2/20 | 0.40 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.38 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2010790 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL8509316 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL15263324 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL4436402 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL5182595 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL240028 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL9393256 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL1994115 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL2636631 | 0.99 | HIF1A (0.43) | HIF1AADORA2AADORA2BLMNANT5E | |
| SCHEMBL7643809 | 0.89 | PYGL (0.38) | HIF1AADORA2AADORA2BLMNANT5E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1427402-A4 | METHOD FOR TREATING PULMONARY DISEASE STATES IN MAMMALS BY ALTERING INDIGENOUS IN VIVO LEVELS OF NITRIC OXIDE | CELLULAR SCIENCES INC (US) | 2007-12-05 | — | — | EP | disclosed |
| EP-1427402-A1 | METHOD FOR TREATING PULMONARY DISEASE STATES IN MAMMALS BY ALTERING INDIGENOUS IN VIVO LEVELS OF NITRIC OXIDE | Cellular Sciences, Inc. (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003017996-A1 | METHOD FOR TREATING PULMONARY DISEASE STATES IN MAMMALS BY ALTERING INDIGENOUS IN VIVO LEVELS OF NITRIC OXIDE | CELLULAR SCIENCES, INC. (US) | 2003-03-06 | — | — | WO | disclosed |
| EP-0754052-A1 | ANTIVIRAL WOUND HEALING COMPOSITION CONTAINING A PYRUVATE, AN ANTIOXIDANT, A MIXTURE OF FATTY ACIDS AND AN ANTIVIRAL COMPOUND | WARNER-LAMBERT COMPANY (US) | 1997-01-22 | — | — | EP | disclosed |
| WO-1995027501-A1 | ANTIVIRAL WOUND HEALING COMPOSITION CONTAINING A PYRUVATE, AN ANTIOXIDANT, A MIXTURE OF FATTY ACIDS AND AN ANTIVIRAL COMPOUND | WARNER-LAMBERT COMPANY (US) | 1995-10-19 | — | — | WO | disclosed |