Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15983143 | 0.84 | ROCK2 (0.42) | ROCK2ROCK1MEN1KMT2AKLKB1 | |
| SCHEMBL17788616 | 0.79 | MEN1 (0.40) | ROCK2ROCK1MEN1KMT2AKLKB1 | |
| SCHEMBL15979348 | 0.79 | GRIN2B (0.40) | ROCK2ROCK1MEN1KMT2AKLKB1 | |
| SCHEMBL21346098 | 0.79 | KDM1A (0.52) | MEN1KMT2AL3MBTL1KDM1AMAOA | |
| SCHEMBL14228558 | 0.77 | HTR2A (0.39) | ROCK2ROCK1MEN1KMT2AHSP90AA1 | |
| SCHEMBL24863725 | 0.77 | ROCK2 (0.51) | ROCK2ROCK1MEN1KMT2AKLKB1 | |
| SCHEMBL16447799 | 0.76 | HSP90AA1 (0.40) | ROCK2ROCK1MEN1KMT2AKLKB1 | |
| SCHEMBL4399022 | 0.76 | ROCK2 (0.38) | ROCK2ROCK1MEN1KMT2AHSP90AA1 | |
| SCHEMBL18216631 | 0.76 | HTR2A (0.38) | ROCK2ROCK1KLKB1HSP90AA1HSP90B1 | |
| SCHEMBL17221413 | 0.76 | CD274 (0.46) | HSP90AA1HSP90B1TRAP1HTR2AHTR2C |
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 |