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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6550358 | 0.99 | ALDH1A1 (0.41) | ALDH1A1TSHRRECQLPOLBNPSR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL6549822 | 0.79 | NAAA (0.39) | GAAEPHX2 | |
| SCHEMBL6551025 | 0.79 | NAAA (0.39) | TSHRGAAEPHX2ENPP3ENPP1 | |
| SCHEMBL6549474 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TSHRLMNAKMT2AMEN1 | |
| Butylcyclohexane SCHEMBL31082847 | 0.77 | CYP1A2 (0.51) | ALDH1A1TSHRPOLBNPSR1GAA | |
| SCHEMBL6549858 | 0.77 | NAAA (0.37) | EPHX2 | |
| Trifluoromethanesulfonic Acid SCHEMBL6549572 | 0.77 | NAAA (0.37) | EPHX2 | |
| SCHEMBL27732964 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRPOLBLMNAEPHX2 | |
| SCHEMBL6551116 | 0.72 | NAAA (0.34) | — | |
| Pentane SCHEMBL28482247 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TSHRGAALMNAKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1167349-B1 | Chemical amplifying type positive resist composition | SUMITOMO CHEMICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| US-20020015913-A1 | Chemical amplifying type positive resist composition and sulfonium salt | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-02-07 | — | — | US | disclosed |
| EP-1167349-A1 | Chemical amplifying type positive resist composition and sulfonium salt | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-01-02 | — | — | EP | disclosed |