Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.42 |
| ▸ | ADH1C | P00326 | 1/20 | 0.42 |
| ▸ | ADH1A | P07327 | 1/20 | 0.42 |
| ▸ | ADH7 | P40394 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19675579 | 0.77 | ADH1B (0.42) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL22702133 | 0.74 | ADH1B (0.46) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL23620721 | 0.73 | ADH1B (0.48) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL17213800 | 0.73 | ADH1B (0.47) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL23188878 | 0.72 | ADH1B (0.41) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL19675331 | 0.70 | — | — | |
| SCHEMBL19675564 | 0.70 | SMN1; SMN2 (0.48) | ALDH1A1KMT2AMAPTSMN1; SMN2NPC1 | |
| SCHEMBL7449229 | 0.69 | ADH1B (0.52) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL14466724 | 0.69 | ADH1B (0.47) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL7449222 | 0.69 | ADH1B (0.52) | ADH1BADH1CADH1AADH7ALDH1A1 |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |