Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.67 |
| ▸ | CLK2 | P49760 | 2/20 | 0.62 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.62 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.62 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.62 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 9/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL30026503 | 1.00 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30933139 | 0.87 | ROCK2 (0.72) | ALDH1A1CLK2CLK4MAP4K4DYRK1A | |
| SCHEMBL5225654 | 0.87 | ROCK2 (0.72) | ALDH1A1CLK2CLK4MAP4K4DYRK1A | |
| SCHEMBL1548213 | 0.85 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30725947 | 0.85 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14045319 | 0.84 | ROCK2 (0.77) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5823003 | 0.84 | ALDH1A1 (0.77) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23084047 | 0.80 | HPGD (0.63) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21688513 | 0.80 | ROCK1 (0.79) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22590423 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0804425-A2 | BENZODIAZEPINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-05 | — | — | EP | disclosed |