Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.64 |
| ▸ | MAPT | P10636 | 7/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | CLK2 | P49760 | 2/20 | 0.63 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.63 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.63 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.63 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL1548213 | 1.00 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1163706 | 0.87 | ROCK2 (0.74) | ALDH1A1MAPTRAB9ACLK2CLK4 | |
| SCHEMBL8774349 | 0.85 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30026503 | 0.85 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14045319 | 0.85 | ROCK2 (0.77) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21688513 | 0.84 | ROCK1 (0.79) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29429758 | 0.83 | RAB9A (0.80) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3378320 | 0.83 | RAB9A (0.80) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7368705 | 0.82 | RAB9A (0.78) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28573140 | 0.82 | KDM4E (0.71) | 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 |
|---|---|---|---|---|---|---|---|
| CN-111491925-B | Pesticidal compounds | 巴斯夫欧洲公司 | 2023-12-29 | — | — | CN | disclosed |