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 | |
|---|---|---|---|---|
| ▸ | RET known ✓ | P07949 | 1/20 | 0.37 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.37 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL6881212 | 0.78 | CYP2A6 (0.42) | CYP2A6CA12CA9ALDH1A1KDM4E | |
| SCHEMBL6877391 | 0.75 | ALDH1A1 (0.47) | CA12CA9ALDH1A1KDM4ELMNA | |
| SCHEMBL6880909 | 0.75 | CA12 (0.49) | CA12CA9ALDH1A1KDM4ELMNA | |
| SCHEMBL5357534 | 0.71 | ALDH1A1 (0.45) | CA12CA9ALDH1A1KDM4ELMNA | |
| SCHEMBL114362 | 0.71 | ALDH1A1 (0.45) | CA12CA9ALDH1A1KDM4ELMNA | |
| Hydrogen Sulfide SCHEMBL6880967 | 0.71 | CYP2A6 (0.55) | CYP2A6CA12CA9ALDH1A1KDM4E | |
| SCHEMBL2994540 | 0.70 | CYP2A6 (0.49) | CYP2A6CA12CA9ALDH1A1LMNA | |
| SCHEMBL11846906 | 0.69 | GAA (0.56) | CA12CA9ALDH1A1KDM4ELMNA | |
| SCHEMBL9749225 | 0.69 | GAA (0.56) | CA12CA9ALDH1A1KDM4ELMNA | |
| Benzene SCHEMBL5085625 | 0.69 | SMN1; SMN2 (0.64) | CA12CA9ALDH1A1KDM4ELMNA |
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 |