Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 5/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790228 | 0.88 | ROCK2 (0.61) | ROCK2ROCK1PARP1IKBKBMAPK10 | |
| SCHEMBL17788671 | 0.86 | ROCK2 (0.59) | ROCK2ROCK1PARP1IKBKBMAPK10 | |
| SCHEMBL10380819 | 0.85 | ROCK2 (0.58) | ROCK2ROCK1PARP1IKBKBMAPK10 | |
| SCHEMBL13766311 | 0.82 | PARP1 (0.61) | ROCK2ROCK1PARP1TSHRSMN1; SMN2 | |
| SCHEMBL279575 | 0.80 | HPGD (0.59) | ROCK2ROCK1PARP1SCN9AHPGD | |
| SCHEMBL13060679 | 0.79 | ROCK2 (0.54) | ROCK2ROCK1PARP1IKBKBMAPK10 | |
| SCHEMBL5088410 | 0.77 | ADRB1 (0.60) | ROCK2ROCK1PARP1IKBKBSCN9A | |
| SCHEMBL8274391 | 0.77 | ADRB1 (0.60) | ROCK2ROCK1PARP1IKBKBSCN9A | |
| SCHEMBL31188482 | 0.77 | ADRB1 (0.60) | ROCK2ROCK1PARP1IKBKBSCN9A | |
| SCHEMBL13005419 | 0.77 | ROCK2 (0.52) | ROCK2ROCK1PARP1IKBKBMAPK10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |