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 | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.37 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.36 |
| ▸ | PARP2 known ✓ | Q9UGN5 | 1/20 | 0.36 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.34 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.34 |
| ▸ | BCAT1 | P54687 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 SCHEMBL5046279 | 0.80 | MAOA (0.35) | BCAT1SMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL5042076 | 0.74 | SMN1; SMN2 (0.32) | SMN1; SMN2KDM4EALDH1A1HTTMAPT | |
| SCHEMBL1258329 | 0.74 | MAOB (0.50) | MAOBSMN1; SMN2TNKSPARP1TNKS2 | |
| SCHEMBL3520236 | 0.74 | BCAT1 (0.42) | BCAT1MAOBSMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL3520234 | 0.74 | BCAT1 (0.42) | BCAT1MAOBSMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL5119618 | 0.72 | MAOA (0.48) | BCAT1MAOBSMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL6879185 | 0.72 | BCAT1 (0.40) | BCAT1MAOBSMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL3523833 | 0.72 | BCAT1 (0.40) | BCAT1MAOBSMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL3523837 | 0.72 | LMNA (0.40) | BCAT1MAOBSMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL2818655 | 0.70 | SMN1; SMN2 (0.63) | BCAT1SMN1; SMN2MMP12MMP13KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |