Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | PRKACA | P17612 | 2/20 | 0.44 |
| ▸ | PRKACG | P22612 | 2/20 | 0.44 |
| ▸ | PRKACB | P22694 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 2/20 | 0.44 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL5888450 | 1.00 | ROCK2 (0.49) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL5888356 | 0.86 | ROCK2 (0.48) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL5888361 | 0.86 | ROCK2 (0.48) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL5888642 | 0.84 | LMNA (0.47) | ROCK2CYP2C9FOLH1ALDH1A1MAPT | |
| SCHEMBL5888640 | 0.84 | LMNA (0.47) | ROCK2CYP2C9FOLH1ALDH1A1MAPT | |
| SCHEMBL6627710 | 0.77 | TDP1 (0.59) | ROCK2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL6627711 | 0.77 | TDP1 (0.59) | ROCK2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL6851570 | 0.77 | ROCK2 (0.43) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL6851572 | 0.77 | ROCK2 (0.43) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL6851575 | 0.77 | ROCK2 (0.43) | ROCK2ROCK1PRKACAPRKACGPRKACB |
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 |