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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | XDH known ✓ | P47989 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.50 |
| ▸ | PLK1 | P53350 | 3/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL11255414 | 0.86 | HCAR3 (0.62) | HCAR3PLK1EPHX2RARBXDH | |
| SCHEMBL11258316 | 0.86 | HCAR3 (0.49) | HCAR3PLK1EPHX2L3MBTL1MLYCD | |
| SCHEMBL15412525 | 0.86 | HCAR3 (0.62) | HCAR3PLK1EPHX2RARBXDH | |
| SCHEMBL11262794 | 0.85 | HCAR3 (0.61) | HCAR3PLK1EPHX2RARBXDH | |
| Hydrochloric Acid SCHEMBL11250653 | 0.84 | HCAR3 (0.47) | HCAR3PLK1EPHX2L3MBTL1MLYCD | |
| SCHEMBL11258578 | 0.84 | MAPT (0.55) | HCAR3PLK1EPHX2L3MBTL1KDM4E | |
| SCHEMBL11250351 | 0.83 | HCAR3 (0.49) | HCAR3PLK1EPHX2RARBXDH | |
| SCHEMBL11251008 | 0.82 | PTGER4 (0.55) | HCAR3PLK1EPHX2CA2KDM4E | |
| SCHEMBL11254922 | 0.82 | PTGER4 (0.55) | HCAR3PLK1EPHX2CA2KDM4E | |
| SCHEMBL11260687 | 0.81 | HCAR3 (0.47) | HCAR3PLK1EPHX2RARBXDH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4333940-A | Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development | AMERICAN CYANAMID COMPANY (US) | 1982-06-08 | — | — | US | disclosed |
| US-4243609-A | ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| EP-0003663-A2 | Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them | AMERICAN CYANAMID COMPANY (US) | 1979-08-22 | — | — | EP | disclosed |