Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.40 |
| ▸ | SCN1A | P35498 | 2/20 | 0.38 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 3/20 | 0.37 |
| ▸ | PRKACG | P22612 | 3/20 | 0.37 |
| ▸ | PRKACB | P22694 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8937960 | 0.94 | ROCK1 (0.52) | ROCK1MAP2K1ENPP2ADRB2ACHE | |
| SCHEMBL8938735 | 0.91 | MAP2K1 (0.52) | ROCK1MAP2K1ENPP2SCN1ASCN8A | |
| SCHEMBL8937943 | 0.89 | ROCK1 (0.56) | ROCK1MAP2K1ENPP2SCN1ASCN8A | |
| SCHEMBL8939121 | 0.88 | ROCK1 (0.48) | ROCK1MAP2K1ENPP2SCN1ASCN8A | |
| SCHEMBL8937994 | 0.88 | ROCK1 (0.55) | ROCK1MAP2K1MCHR1PRKACAPRKACG | |
| SCHEMBL8937905 | 0.87 | ROCK1 (0.48) | ROCK1MAP2K1ENPP2SCN1ASCN8A | |
| SCHEMBL8937945 | 0.87 | ROCK1 (0.56) | ROCK1MAP2K1SCN1ASCN8APRKACA | |
| SCHEMBL13890346 | 0.86 | ROCK1 (0.53) | ROCK1MAP2K1SCN1ASCN8APRKACA | |
| SCHEMBL8938736 | 0.85 | ROCK1 (0.53) | ROCK1PRKACAMAOAMAOBADRB2 | |
| SCHEMBL8937933 | 0.85 | ROCK1 (0.54) | ROCK1MAP2K1SCN1ASCN8APRKACA |
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-8188117-B2 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2012-05-29 | — | — | US | disclosed |