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 | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.56 |
| ▸ | EPHA2 | P29317 | 5/20 | 0.56 |
| ▸ | CASP7 | P55210 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.56 |
| ▸ | VDR | P11473 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | BLM | P54132 | 2/20 | 0.56 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | MDM4 | O15151 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5667888 | 0.90 | VDR (0.69) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL5154450 | 0.90 | VDR (0.69) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL3130073 | 0.89 | GPBAR1 (0.57) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL15539189 | 0.87 | GPBAR1 (0.71) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL7528741 | 0.85 | GRIN2A (0.52) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL17501642 | 0.84 | GPBAR1 (0.73) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL7666745 | 0.84 | GPBAR1 (0.50) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL2155401 | 0.83 | CYP2D6 (0.62) | TP53LMNAUSP2MEN1KMT2A | |
| SCHEMBL29689457 | 0.83 | CYP2D6 (0.62) | TP53LMNAUSP2MEN1KMT2A | |
| SCHEMBL1490581 | 0.83 | GPBAR1 (0.55) | GPBAR1EPHA2CASP7HSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003062461-A1 | FMDV LEADER PEPTIDASE ASSAY | AMURA THERPEUTICS LIMITED (GB) | 2003-07-31 | — | — | WO | disclosed |