Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2109752 | 0.89 | RAB9A (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28946942 | 0.84 | SIRT2 (0.48) | CYP3A4CYP2C19RAB9APOLBMAPT | |
| SCHEMBL2428467 | 0.83 | RAB9A (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2107054 | 0.83 | NOTUM (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12444310 | 0.83 | BRD4 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5559631 | 0.80 | POLB (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27163705 | 0.79 | NOTUM (0.64) | CYP1A2CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL27591767 | 0.78 | RAB9A (0.48) | RAB9AMAPK1NPC1POLBMAPT | |
| SCHEMBL3630996 | 0.75 | BRD4 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11256348 | 0.75 | BRD4 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101925590-A | Aldh-2 inhibitors in treatment of addiction | CV THERAPEUTICS INC | 2010-12-22 | — | — | CN | disclosed |
| CN-101627024-A | ALDH-2 inhibitors in the treatment of addiction | CV THERAPEUTICS INC | 2010-01-13 | — | — | CN | disclosed |