Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 5/20 | 0.39 |
| ▸ | METAP1 | P53582 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15184721 | 0.76 | ALDH1A1 (0.46) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL3239489 | 0.76 | ALDH1A1 (0.46) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL11497859 | 0.74 | CYP2C19 (0.58) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL3381619 | 0.73 | NPBWR1 (0.40) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL10683688 | 0.72 | CYP2C19 (0.50) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL7192197 | 0.72 | ALDH1A1 (0.46) | CYP2C9CYP2C19ALDH1A1CYP1A2AOC3 | |
| SCHEMBL8652049 | 0.72 | CYP2C9 (0.48) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL4836821 | 0.72 | ALDH1A1 (0.48) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL7269775 | 0.71 | NR4A1 (0.45) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL28224171 | 0.71 | ALDH1A1 (0.41) | CYP2C9CYP2C19ALDH1A1CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1280764-A2 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001070675-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2001-09-27 | — | — | WO | disclosed |