Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3794565 | 0.94 | CYP2A6 (0.60) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL1834445 | 0.84 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL29401742 | 0.84 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL30522293 | 0.84 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL29462717 | 0.84 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL18748285 | 0.84 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL29087586 | 0.84 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL19270245 | 0.84 | CYP2A6 (0.75) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL12108682 | 0.80 | CYP2A6 (0.83) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 | |
| SCHEMBL31508264 | 0.80 | CYP2A6 (0.83) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 |
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-3353156-B1 | TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS | MASSACHUSETTS GEN HOSPITAL (US) | 2021-11-03 | — | — | EP | disclosed |