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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 8/20 | 0.55 |
| ▸ | PTGER2 | P43116 | 8/20 | 0.55 |
| ▸ | PTGER3 | P43115 | 7/20 | 0.55 |
| ▸ | PTGER1 | P34995 | 6/20 | 0.55 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 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 | |
|---|---|---|---|---|
| SCHEMBL7809018 | 0.91 | PTGER4 (0.68) | PTGER4PTGER2PTGER3PTGER1CCNB2 | |
| SCHEMBL7809020 | 0.91 | PTGER4 (0.68) | PTGER4PTGER2PTGER3PTGER1CCNB2 | |
| SCHEMBL7957930 | 0.85 | PTGER4 (0.66) | PTGER4PTGER2PTGER3PTGER1HDAC8 | |
| SCHEMBL7957928 | 0.78 | PTGER4 (0.67) | PTGER4PTGER2PTGER3PTGER1CCNB2 | |
| SCHEMBL7955206 | 0.76 | PTGER4 (0.62) | PTGER4PTGER2PTGER3PTGER1CCNB2 | |
| SCHEMBL7798447 | 0.74 | PTGER2 (0.79) | PTGER4PTGER2PTGER3PTGER1KDM4E | |
| SCHEMBL7798442 | 0.74 | PTGER2 (0.79) | PTGER4PTGER2PTGER3PTGER1KDM4E | |
| SCHEMBL7957227 | 0.73 | PTGER4 (0.65) | PTGER4PTGER2PTGER3PTGER1CCNB2 | |
| SCHEMBL7957263 | 0.72 | PTGER4 (0.66) | PTGER4PTGER2PTGER3PTGER1HDAC8 | |
| SCHEMBL7957259 | 0.72 | PTGER4 (0.66) | PTGER4PTGER2PTGER3PTGER1HDAC8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211197-B1 | CARBOXYLIC ACID OR TETRAZOLE DERIVATES; ANALGESICS, ANTIPYRETICS, AND ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2001-04-03 | — | — | US | disclosed |