Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS known ✓ | P04818 | 2/20 | 0.49 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | PLAU | P00749 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8395502 | 0.88 | NPC1 (0.56) | NPC1RAB9APLAUCASP3TYMS | |
| SCHEMBL29892522 | 0.88 | NPC1 (0.56) | NPC1RAB9APLAUCASP3TYMS | |
| SCHEMBL29892518 | 0.88 | NPC1 (0.56) | NPC1RAB9APLAUCASP3TYMS | |
| SCHEMBL8042550 | 0.86 | NPC1 (0.54) | NPC1RAB9APLAUCASP3TYMS | |
| SCHEMBL9125523 | 0.75 | NPC1 (0.58) | NPC1RAB9APLAUCASP3MGLL | |
| SCHEMBL21878720 | 0.74 | EDNRA (0.52) | KMT2AALDH1A1HPGD | |
| SCHEMBL27786325 | 0.74 | NPC1 (0.57) | NPC1RAB9APLAUCASP3PTPN1 | |
| SCHEMBL9093600 | 0.73 | PLAU (0.55) | NPC1RAB9APLAUCASP3PTPN1 | |
| SCHEMBL3786444 | 0.73 | NPC1 (0.68) | NPC1RAB9APLAUCASP3PTPN1 | |
| SCHEMBL14183610 | 0.72 | SMN1; SMN2 (0.66) | NPC1RAB9APLAUKMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-6083951-A | FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE | ZENECA LIMITED (GB) | 2000-07-04 | — | — | US | disclosed |
| US-5861401-A | TREATMENT OF CONGESTIVE HEART FAILURE | ZENECA LIMITED (GB) | 1999-01-19 | — | — | US | disclosed |
| EP-0752986-A1 | N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1997-01-15 | — | — | EP | disclosed |
| WO-1995026957-A1 | N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1995-10-12 | — | — | WO | disclosed |