Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CSF1R | P07333 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.45 |
| ▸ | PRKACA | P17612 | 3/20 | 0.45 |
| ▸ | GSK3A | P49840 | 3/20 | 0.45 |
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | PRKX | P51817 | 3/20 | 0.45 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.45 |
| ▸ | MST1R | Q04912 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.45 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.45 |
| ▸ | PRKCG | P05129 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5888537 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CSF1RMEN1KMT2ACASP3 | |
| SCHEMBL5214941 | 0.85 | ROCK2 (0.57) | ALDH1A1CSF1RROCK1PRKACAGSK3A | |
| SCHEMBL5224427 | 0.85 | ROCK2 (0.57) | ALDH1A1CSF1RROCK1PRKACAGSK3A | |
| SCHEMBL12191029 | 0.82 | ROCK2 (0.57) | ALDH1A1CSF1RMEN1KMT2AROCK1 | |
| SCHEMBL12191087 | 0.82 | ROCK2 (0.57) | ALDH1A1CSF1RMEN1KMT2AROCK1 | |
| SCHEMBL12191128 | 0.77 | GPR55 (0.53) | ALDH1A1MEN1KMT2AROCK1ROCK2 | |
| SCHEMBL5888493 | 0.76 | CTSL (0.49) | ALDH1A1CYP3A4CYP2C9DYRK1ACTSL | |
| SCHEMBL5888653 | 0.76 | CTSL (0.52) | ALDH1A1MEN1DYRK1ACTSLCTSS | |
| SCHEMBL5888650 | 0.76 | CTSL (0.52) | ALDH1A1MEN1DYRK1ACTSLCTSS | |
| SCHEMBL5888488 | 0.76 | CTSL (0.49) | ALDH1A1CYP3A4CYP2C9DYRK1ACTSL |
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 |
|---|---|---|---|---|---|---|---|
| US-7135472-B2 | 3-Heterocyclic benzylamide derivatives as potassium channel openers | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-14 | — | — | US | disclosed |