Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.50 |
| ▸ | PRKACA | P17612 | 4/20 | 0.50 |
| ▸ | AKT1 | P31749 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | SGK1 | O00141 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4850255 | 0.92 | ROCK1 (0.49) | ROCK1PRKACAAKT1CDK2SGK1 | |
| SCHEMBL4781794 | 0.87 | ROCK1 (0.45) | ROCK1PRKACAAKT1CDK2SGK1 | |
| SCHEMBL4890207 | 0.85 | AKT1 (0.52) | ROCK1PRKACAAKT1CDK2SGK1 | |
| SCHEMBL4899252 | 0.84 | AKT1 (0.53) | ROCK1AKT1CDK2SGK1NOX1 | |
| SCHEMBL4898277 | 0.84 | AKT1 (0.53) | ROCK1AKT1CDK2SGK1NOX1 | |
| SCHEMBL4780577 | 0.84 | AKT1 (0.53) | ROCK1AKT1CDK2SGK1NOX1 | |
| SCHEMBL4779887 | 0.84 | AKT1 (0.49) | ROCK1PRKACAAKT1CDK2SGK1 | |
| SCHEMBL4890399 | 0.83 | AKT1 (0.52) | ROCK1AKT1CDK2SGK1NOX1 | |
| SCHEMBL4902138 | 0.83 | AKT1 (0.52) | ROCK1AKT1CDK2SGK1NOX1 | |
| SCHEMBL4898250 | 0.83 | AKT1 (0.52) | ROCK1AKT1CDK2SGK1NOX1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008036308-A2 | AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-03-27 | — | — | WO | disclosed |