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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.46 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.46 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.40 |
| ▸ | MMP7 | P09237 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787147 | 0.77 | KIF11 (0.49) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL8619633 | 0.77 | SLC1A2 (0.61) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL1464399 | 0.72 | MMP1 (0.54) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL10157181 | 0.72 | CA1 (0.53) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL4225010 | 0.71 | KIF11 (0.53) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL21678791 | 0.70 | CA1 (0.51) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL1465778 | 0.70 | MMP1 (0.55) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL13833092 | 0.69 | KIF11 (0.47) | SLC1A3SLC1A2SLC1A1KIF11CA1 | |
| SCHEMBL792636 | 0.69 | KIF11 (0.88) | KIF11CA1CA2CA9CA12 | |
| SCHEMBL15568688 | 0.69 | KIF11 (0.55) | KIF11CA1CA2CA9CA12 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5573708-A | ACID-SUBSTITUTED PERFLUOROALKYLBENZENES | UNION CHEMICAL CO., LTD. (JP) | 1996-11-12 | — | — | US | claimed |
| EP-0569884-B1 | Rust inhibitor | UNION CHEMICAL CO LTD (JP) | 1996-09-18 | — | — | EP | claimed |
| US-5487846-A | FLUORINE-SUBSTITUTED BENZENE DERIVATIVES | UNION CHEMICAL CO., LTD. (JP) | 1996-01-30 | — | — | US | claimed |
| EP-0569884-A1 | Rust inhibitor | UNION CHEMICAL CO., LTD. (JP) | 1993-11-18 | — | — | EP | claimed |
| EP-0569884-B1 | Rust inhibitor | UNION CHEMICAL CO LTD (JP) | 1996-09-18 | — | — | EP | disclosed |
| US-5487846-A | FLUORINE-SUBSTITUTED BENZENE DERIVATIVES | UNION CHEMICAL CO., LTD. (JP) | 1996-01-30 | — | — | US | disclosed |
| EP-0569884-A1 | Rust inhibitor | UNION CHEMICAL CO., LTD. (JP) | 1993-11-18 | — | — | EP | disclosed |