Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13002726 | 0.93 | CYP2A6 (0.49) | CYP2A6CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13002773 | 0.89 | EPHX2 (0.45) | CYP2A6CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13002399 | 0.85 | MAPT (0.45) | ALDH1A1MAPTNPC1POLBRAB9A | |
| SCHEMBL13002414 | 0.84 | PDE3B (0.48) | CYP2A6CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11219364 | 0.82 | MAPT (0.43) | SMN1; SMN2ALDH1A1MAPTNPC1POLB | |
| Hydrochloric Acid SCHEMBL11227396 | 0.81 | MAPT (0.43) | ALDH1A1MAPTNPC1POLBRAB9A | |
| SCHEMBL13002600 | 0.77 | ALDH1A1 (0.41) | CYP3A4ALDH1A1CYP11B2CYP11B1MAPT | |
| SCHEMBL13002599 | 0.76 | MAPT (0.49) | SMN1; SMN2ALDH1A1MAPTNPC1POLB | |
| SCHEMBL11233273 | 0.76 | MMP9 (0.48) | CYP3A4CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL11375116 | 0.76 | MMP2 (0.48) | SMN1; SMN2ALDH1A1MAPTNPC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010137350-A1 | AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS | 住友化学株式会社 (JP) | 2010-12-02 | — | — | WO | disclosed |