Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | RARB | P10826 | 3/20 | 0.54 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10900013 | 1.00 | HPGD (0.55) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL10898783 | 1.00 | HPGD (0.55) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL10900140 | 0.98 | HPGD (0.52) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL10899589 | 0.95 | CYP2D6 (0.54) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL23648812 | 0.95 | NR5A1 (0.56) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL9523100 | 0.95 | NR5A1 (0.56) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL5441253 | 0.95 | NR5A1 (0.56) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL5449074 | 0.95 | NR5A1 (0.56) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL8030985 | 0.95 | NR5A1 (0.56) | HPGDKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL1823685 | 0.90 | LTA4H (0.48) | KDM4ENR5A1CYP3A4CYP2D6TSHR |
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-4572794-A | Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-02-25 | — | — | US | disclosed |