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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY4 known ✓ | P51582 | 5/20 | 0.39 |
| ▸ | P2RY12 known ✓ | Q9H244 | 3/20 | 0.34 |
| ▸ | P2RY2 known ✓ | P41231 | 2/20 | 0.34 |
| ▸ | P2RY6 known ✓ | Q15077 | 2/20 | 0.34 |
| ▸ | P2RY1 known ✓ | P47900 | 1/20 | 0.34 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8298169 | 0.84 | MAPT (0.38) | KDM4EMAPTALDH1A1HPGDTSHR | |
| SCHEMBL8589908 | 0.83 | MAPT (0.38) | KDM4EMAPTALDH1A1HPGDTSHR | |
| SCHEMBL8592813 | 0.80 | HSD17B10 (0.41) | FTOP2RY4KDM4EMAPTALDH1A1 | |
| SCHEMBL8589618 | 0.69 | CA12 (0.45) | FTOP2RY4ALDH1A1SLC7A11P2RY12 | |
| SCHEMBL8516341 | 0.69 | CA1 (0.40) | KDM4EMAPTALDH1A1HPGDTSHR | |
| SCHEMBL8592559 | 0.69 | P2RY2 (0.47) | FTOMAPTALDH1A1TSHRGAA | |
| SCHEMBL29613103 | 0.67 | KCNH2 (0.50) | KDM4EMAPTALDH1A1HPGDTSHR | |
| SCHEMBL8593588 | 0.66 | ALDH1A1 (0.39) | KDM4EMAPTALDH1A1HPGDTSHR | |
| SCHEMBL8298599 | 0.66 | ALDH1A1 (0.42) | KDM4EMAPTALDH1A1HPGDTSHR | |
| SCHEMBL8592814 | 0.65 | ALDH1A1 (0.41) | KDM4EMAPTALDH1A1HPGDTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5739382-A | INTERMEDIATES FOR ANTICOAGULANTS | SYNTHELABO (FR) | 1998-04-14 | — | — | US | disclosed |
| US-5712393-A | FOR ANTITHROMBOTIC | SYNTHELABO (FR) | 1998-01-27 | — | — | US | disclosed |