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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ATIC | P31939 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21084 | 0.88 | ALDH1A1 (0.54) | ALDH1A1MAPTKDM4EKMT2AGAA | |
| Ammonia Solution, Strong SCHEMBL7744383 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EKMT2AGAA | |
| SCHEMBL28396990 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EATICKMT2A | |
| Hydrochloric Acid SCHEMBL9814070 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EKMT2AGAA | |
| Water SCHEMBL3630768 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EKMT2AGAA | |
| SCHEMBL27475054 | 0.85 | ALDH1A1 (0.46) | HTTPKMALDH1A1LMNAMAPT | |
| SCHEMBL216825 | 0.84 | ALDH1A1 (0.49) | HTTALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL29974495 | 0.84 | ALDH1A1 (0.49) | HTTALDH1A1LMNAMAPTSMN1; SMN2 | |
| Formaldehyde SCHEMBL958921 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4EKMT2AGAA | |
| Water SCHEMBL5512181 | 0.83 | SMN1; SMN2 (0.47) | HTTALDH1A1LMNAMAPTSMN1; SMN2 |
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-1501810-A1 | IONIC LIQUIDS | Bayer MaterialScience AG (DE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093246-A1 | IONIC LIQUIDS | BAYER MATERIALSCIENCE AG (DE) | 2003-11-13 | — | — | WO | disclosed |