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 | 9/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL22089687 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ASNCAGLA | |
| SCHEMBL5481295 | 0.79 | GLA (0.44) | ALDH1A1MEN1KMT2ASNCAGLA | |
| Propionitrile SCHEMBL28654588 | 0.77 | GLA (0.51) | ALDH1A1MEN1KMT2ASNCAGLA | |
| SCHEMBL28605621 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ASNCAGLA | |
| Diethylamine SCHEMBL3300840 | 0.76 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2ASNCAMAPT | |
| Acetonitrile SCHEMBL318491 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ASNCAGLA | |
| Acetonitrile SCHEMBL29256909 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ASNCAGLA | |
| Acetonitrile SCHEMBL17474635 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ASNCAGLA | |
| Alcohol SCHEMBL28115493 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ASNCAMAPT | |
| Propane SCHEMBL3563886 | 0.75 | GAA (0.54) | ALDH1A1MEN1KMT2ASNCAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20070245498-A1 | Diethyl Methyl Ammonium Nitriles and Detergents and Cleaning Agents Containing Said Ammonium Nitriles | REINHARDT GERD | 2007-10-25 | — | — | US | disclosed |