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 | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL9465628 | 0.83 | GLA (0.42) | GLATDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL9465554 | 0.78 | BCHE (0.49) | GLAALDH1A1MAPTMAPK1CYP2D6 | |
| SCHEMBL9465820 | 0.77 | CYP2D6 (0.44) | GLATDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL10337567 | 0.74 | — | — | |
| SCHEMBL1437604 | 0.73 | GLA (0.51) | GLATDP1ALDH1A1MAPTMAPK1 | |
| Propionitrile SCHEMBL28654588 | 0.73 | GLA (0.51) | GLATDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL8754933 | 0.72 | NPSR1 (0.55) | NPSR1C5AR1TDP1ALDH1A1MAPT | |
| Allylamine SCHEMBL6135332 | 0.72 | TDP1 (0.50) | NPSR1C5AR1TDP1ALDH1A1MAPT | |
| Allylamine SCHEMBL3838105 | 0.72 | TDP1 (0.50) | NPSR1C5AR1TDP1ALDH1A1MAPT | |
| SCHEMBL5481295 | 0.72 | GLA (0.44) | GLATDP1ALDH1A1MAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |