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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 known ✓ | P04150 | 2/20 | 0.48 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 3/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.42 |
| ▸ | LPAR5 | Q9H1C0 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9081179 | 0.86 | PTGES (0.59) | PTGESNR3C1SRD5A2LPAR1LPAR5 | |
| SCHEMBL9081148 | 0.83 | KDM4E (0.51) | PTGESNR3C1SRD5A2ACHEMEN1 | |
| SCHEMBL13658168 | 0.77 | LTA4H (0.54) | PTGESNR3C1SRD5A2ACHEFFAR1 | |
| SCHEMBL9079799 | 0.75 | POLB (0.51) | PTGESNR3C1SRD5A2FFAR1LPAR1 | |
| SCHEMBL9081270 | 0.72 | LPAR1 (0.63) | PTGESSRD5A2LPAR1LPAR5 | |
| SCHEMBL5969739 | 0.70 | PARP10 (0.62) | SRD5A2 | |
| SCHEMBL9080884 | 0.70 | LPAR1 (0.64) | PTGESSRD5A2KMT2ALPAR1LPAR5 | |
| SCHEMBL9080942 | 0.70 | PTGES (0.56) | PTGESNR3C1SRD5A2LPAR1LPAR5 | |
| SCHEMBL9080591 | 0.70 | LPAR1 (0.57) | PTGESLPAR1LPAR5 | |
| M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL9764602 | 0.70 | AKR1C3 (0.70) | FFAR1MEN1KMT2A |
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-1996034851-A1 | BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE | ABBOTT LABORATORIES (US) | 1996-11-07 | — | — | WO | disclosed |