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 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9439837 | 0.92 | LMNA (0.42) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Choline SCHEMBL2150380 | 0.91 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Choline SCHEMBL27636047 | 0.89 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Choline SCHEMBL28154995 | 0.89 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Choline SCHEMBL28515010 | 0.88 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Choline SCHEMBL28992904 | 0.88 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Choline SCHEMBL28636470 | 0.86 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL2921887 | 0.86 | CYP3A4 (0.48) | ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1 | |
| Ethylene Glycol SCHEMBL1936216 | 0.85 | GAA (0.52) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Ethylene Glycol SCHEMBL6046435 | 0.85 | GAA (0.52) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8362095-B2 | Defoaming of ionic liquids | EVONIK GOLDSCHMIDT GMBH (DE) | 2013-01-29 | — | — | US | disclosed |
| US-20100192814-A1 | PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES | EVONIK GOLDSCHMIDT GMBH (DE) | 2010-08-05 | — | — | US | disclosed |
| US-20100084597-A1 | DEFOAMING OF IONIC LIQUIDS | EVONIK DEGUSSA GMBH (DE) | 2010-04-08 | — | — | US | disclosed |