Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | PRKACA | P17612 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PRKACG | P22612 | 1/20 | 0.38 |
| ▸ | PRKACB | P22694 | 1/20 | 0.38 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PRKCG | P05129 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6270039 | 1.00 | ACACB (0.41) | ACACBACACAALKTDP1ROCK2 | |
| SCHEMBL6270040 | 1.00 | ACACB (0.41) | ACACBACACAALKTDP1ROCK2 | |
| SCHEMBL6270035 | 1.00 | ACACB (0.41) | ACACBACACAALKTDP1ROCK2 | |
| SCHEMBL6202729 | 0.94 | ACACB (0.41) | ACACBACACAALKTDP1ROCK2 | |
| SCHEMBL6202727 | 0.94 | ACACB (0.41) | ACACBACACAALKTDP1ROCK2 | |
| SCHEMBL6202724 | 0.94 | ACACB (0.41) | ACACBACACAALKTDP1ROCK2 | |
| SCHEMBL6203105 | 0.93 | TDP1 (0.41) | ACACBACACATDP1ROCK2PRKACA | |
| SCHEMBL6203109 | 0.93 | TDP1 (0.41) | ACACBACACATDP1ROCK2PRKACA | |
| SCHEMBL6203102 | 0.93 | TDP1 (0.41) | ACACBACACATDP1ROCK2PRKACA | |
| SCHEMBL6246012 | 0.93 | TDP1 (0.41) | ACACBACACATDP1ROCK2PRKACA |
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-1581498-A2 | PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS | Bristol-Myers Squibb Company (US) | 2005-10-05 | — | — | EP | claimed |
| WO-2004047739-A2 | PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-10 | — | — | WO | claimed |