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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL9465634 | 0.83 | NPSR1 (0.39) | GLASNCAALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL9465554 | 0.82 | BCHE (0.49) | GLAALDH1A1CYP2D6CYP1A2CYP3A4 | |
| Propionitrile SCHEMBL28654588 | 0.81 | GLA (0.51) | GLASNCAALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL9465820 | 0.79 | CYP2D6 (0.44) | GLASNCAALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL1437604 | 0.77 | GLA (0.51) | GLASNCAALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL7546374 | 0.77 | CTSS (0.46) | GLASNCAALDH1A1MAPTTDP1 | |
| SCHEMBL5464050 | 0.77 | GLA (0.42) | GLASNCAALDH1A1CYP2D6CYP1A2 | |
| Propionitrile SCHEMBL6679473 | 0.76 | GLA (0.51) | GLASNCAALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL5481295 | 0.76 | GLA (0.44) | GLASNCAALDH1A1CYP2D6CYP1A2 | |
| Acetonitrile SCHEMBL17474635 | 0.75 | ALDH1A1 (0.52) | GLASNCAALDH1A1CYP2D6CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5185460-A | Reacting hydrogen cyanide with desired mercaptan; recovering salt; intermediates for funcicides, herbicides, dyes, perfumes | NIPPON SODA CO., LTD. (JP) | 1993-02-09 | — | — | US | disclosed |
| EP-0378707-B1 | AMINOACETONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1993-01-20 | — | — | EP | disclosed |
| EP-0378707-A1 | AMINOACETONITRILE DERIVATIVES. | NIPPON SODA CO (JP) | 1990-07-25 | — | — | EP | disclosed |
| WO-1990000543-A1 | AMINOACETONITRILE DERIVATIVES | NIPPON SODA CO., LTD. (JP) | 1990-01-25 | — | — | WO | disclosed |