Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 11/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19643227 | 0.88 | ROCK2 (0.50) | ROCK2TP53ALDH1A1GAAMAPK8 | |
| SCHEMBL19643570 | 0.86 | ROCK2 (0.58) | ROCK2TP53PIK3R1PIK3CAADORA3 | |
| SCHEMBL19643781 | 0.85 | ROCK2 (0.67) | ROCK2TP53PIK3R1PIK3CAMAPT | |
| SCHEMBL28868430 | 0.84 | ROCK2 (0.56) | ROCK2TP53PIK3R1PIK3CAMAPT | |
| SCHEMBL19643674 | 0.84 | ROCK2 (0.56) | ROCK2TP53PIK3R1PIK3CAMAPT | |
| SCHEMBL19644071 | 0.82 | ROCK2 (0.72) | ROCK2TP53PIK3R1PIK3CAMAPT | |
| SCHEMBL19643602 | 0.76 | ROCK2 (0.60) | ROCK2TP53ALDH1A1PKMPIK3R1 | |
| SCHEMBL19643774 | 0.75 | ROCK2 (0.49) | ROCK2 | |
| SCHEMBL19643876 | 0.71 | ROCK2 (0.84) | ROCK2 | |
| SCHEMBL28186296 | 0.70 | MAPT (0.56) | ROCK2TP53PKMMAPTCMA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3464262-B1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-02-26 | — | — | EP | disclosed |
| EP-3464262-A1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2019-04-10 | — | — | EP | disclosed |
| WO-2017205709-A1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-11-30 | — | — | WO | disclosed |