Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 10/20 | 0.61 |
| ▸ | AKT1 | P31749 | 6/20 | 0.61 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.42 |
| ▸ | PRKACA | P17612 | 2/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.42 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.42 |
| ▸ | LATS1 | O95835 | 1/20 | 0.42 |
| ▸ | PRKACB | P22694 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | GRK2 | P25098 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.42 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.42 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16432987 | 0.88 | AKT2 (0.76) | AKT2AKT1ROCK2ACVR1AKT3 | |
| SCHEMBL15689115 | 0.88 | AKT2 (0.76) | AKT2AKT1ROCK2ACVR1AKT3 | |
| SCHEMBL3740850 | 0.80 | AKT2 (0.70) | AKT2AKT1ROCK2ACVR1MAPK1 | |
| SCHEMBL16872766 | 0.79 | AKT2 (0.95) | AKT2AKT1ROCK2PIM1ILK | |
| SCHEMBL104535 | 0.77 | AKT2 (0.61) | AKT2AKT1ROCK2ACVR1ROCK1 | |
| SCHEMBL15504532 | 0.77 | AKT2 (0.61) | AKT2AKT1METAP2ROCK2ACVR1 | |
| SCHEMBL844167 | 0.77 | AKT2 (0.61) | AKT2AKT1METAP2ROCK2ACVR1 | |
| SCHEMBL28424886 | 0.77 | AKT2 (0.61) | AKT2AKT1ROCK2ACVR1AKT3 | |
| SCHEMBL20588075 | 0.77 | AKT2 (0.61) | AKT2AKT1ROCK2ACVR1AKT3 | |
| SCHEMBL4582237 | 0.77 | AKT2 (0.61) | AKT2AKT1ROCK2ACVR1AKT3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016112236-A1 | CYCLIC UREAS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-07-14 | — | — | WO | disclosed |
| US-8518970-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2013-08-27 | — | — | US | disclosed |