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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 9/20 | 0.54 |
| ▸ | F2 | P00734 | 9/20 | 0.57 |
| ▸ | ESR1 | P03372 | 9/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6605496 | 0.95 | F2 (0.53) | F2ESR1ESR2ITGA4 | |
| SCHEMBL7450850 | 0.92 | F2 (0.58) | F2ESR1ESR2ITGA4 | |
| SCHEMBL6606507 | 0.92 | F2 (0.57) | F2ESR1ESR2ITGA4 | |
| SCHEMBL6606711 | 0.90 | ESR1 (0.60) | F2ESR1ESR2ITGA4 | |
| SCHEMBL7452480 | 0.88 | F2 (0.53) | F2ESR1ESR2ITGA4 | |
| SCHEMBL6605492 | 0.87 | F2 (0.53) | F2ESR1ESR2ITGA4 | |
| SCHEMBL7983864 | 0.87 | F2 (0.52) | F2ESR1ESR2ITGA4 | |
| SCHEMBL6604504 | 0.86 | F2 (0.58) | F2ESR1ESR2ITGA4 | |
| SCHEMBL6606766 | 0.85 | ESR1 (0.55) | F2ESR1ESR2ITGA4 | |
| SCHEMBL7456629 | 0.85 | ESR1 (0.51) | F2ESR1ESR2ITGA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244655-B1 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2004-02-18 | — | — | EP | disclosed |
| US-6620837-B1 | 1-Benzothiophene derivatives | ELI LILLY AND COMPANY | 2003-09-16 | — | — | US | disclosed |