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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.41 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.37 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.37 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LPL | P06858 | 5/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 5/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL793134 | 0.81 | LIPG (0.50) | PTGS2CYP3A4LPLLIPGTRPV1 | |
| SCHEMBL14586048 | 0.81 | LIPG (0.50) | PTGS2CYP3A4LPLLIPGTRPV1 | |
| SCHEMBL120524 | 0.80 | LIPG (0.45) | PTGS2CYP3A4LPLLIPGTRPV1 | |
| SCHEMBL3555634 | 0.74 | PTGS2 (0.48) | PTGS2GPR84CYP3A4LPLLIPG | |
| SCHEMBL1323842 | 0.74 | PTGS2 (0.48) | PTGS2GPR84CYP3A4LPLLIPG | |
| SCHEMBL2012315 | 0.74 | PTGS2 (0.48) | PTGS2GPR84CYP3A4LPLLIPG | |
| SCHEMBL196514 | 0.74 | PTGS2 (0.48) | PTGS2GPR84CYP3A4LPLLIPG | |
| SCHEMBL2013730 | 0.74 | PTGS2 (0.44) | PTGS2GPR84CYP3A4LPLLIPG | |
| SCHEMBL19614808 | 0.74 | PTGS2 (0.44) | PTGS2GPR84CYP3A4LPLLIPG | |
| SCHEMBL852180 | 0.74 | PTGS2 (0.44) | PTGS2GPR84CYP3A4LPLLIPG |
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 |
|---|---|---|---|---|---|---|---|
| EP-1510535-B1 | Mono-, Oligo- and Polythieno(2,3-b)thiophenes | MERCK PATENT GMBH (DE) | 2008-11-05 | — | — | EP | disclosed |
| US-7183418-B2 | Mono-, oligo- and polythieno[2,3-b]thiophenes | MERCK PATENT GESELLSCHAFT (DE) | 2007-02-27 | — | — | US | disclosed |
| US-20050090640-A1 | Mono-, oligo-and polythieno[2,3-b]thiophenes | FLEXENABLE TECHNOLOGY LIMITED (GB) | 2005-04-28 | — | — | US | disclosed |
| EP-1510535-A1 | Mono-, Oligo- and Polythieno(2,3-b)thiophenes | MERCK PATENT GmbH (DE) | 2005-03-02 | — | — | EP | disclosed |