Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | GLA | P06280 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6877391 | 0.87 | ALDH1A1 (0.47) | CA12CA9CA1KDM4EGLA | |
| SCHEMBL6875324 | 0.83 | GLA (0.43) | CA12CA9CA1KDM4EGLA | |
| SCHEMBL5866898 | 0.79 | GLA (0.58) | CA12CA9CA1KDM4EGLA | |
| SCHEMBL5040810 | 0.79 | CA12 (0.59) | CA12CA9CA1KDM4EGLA | |
| SCHEMBL6869582 | 0.78 | GLA (0.43) | CA12CA9CA1KDM4EGLA | |
| Trifluoromethanesulfonic Acid SCHEMBL5114458 | 0.77 | GLA (0.50) | CA12CA9CA1KDM4EGLA | |
| Bromide SCHEMBL6878726 | 0.77 | CA12 (0.57) | CA12CA9CA1KDM4EGLA | |
| SCHEMBL6869309 | 0.77 | GLA (0.47) | CA12CA9CA1KDM4EGLA | |
| Perchlorate SCHEMBL5046259 | 0.76 | CA12 (0.53) | CA12CA9CA1KDM4EGLA | |
| SCHEMBL6880971 | 0.75 | CYP2A6 (0.41) | CA12CA9CA1KDM4EGLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |