Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 14/20 | 0.80 |
| ▸ | NAMPT | P43490 | 10/20 | 0.69 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.58 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.58 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3704699 | 0.89 | ROCK2 (1.00) | ROCK2NAMPTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL19997298 | 0.87 | ROCK2 (0.86) | ROCK2NAMPTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL17321517 | 0.84 | ROCK2 (0.82) | ROCK2NAMPTROCK1NPC1RAB9A | |
| SCHEMBL17321515 | 0.82 | ROCK1 (0.80) | ROCK2NAMPTROCK1 | |
| SCHEMBL17321522 | 0.82 | ROCK1 (0.81) | ROCK2NAMPTROCK1 | |
| SCHEMBL3709151 | 0.82 | ROCK2 (1.00) | ROCK2NAMPTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6121478 | 0.81 | NAMPT (1.00) | ROCK2NAMPTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL3707306 | 0.81 | NAMPT (1.00) | ROCK2NAMPTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL3712421 | 0.79 | NAMPT (1.00) | ROCK2NAMPTROCK1 | |
| SCHEMBL6120719 | 0.79 | NAMPT (1.00) | ROCK2NAMPTROCK1 |
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-9926282-B2 | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-27 | — | — | US | disclosed |