Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.69 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16345038 | 0.90 | ROCK2 (0.67) | ROCK2PIK3CAKDM4EMAPTALDH1A1 | |
| SCHEMBL17783501 | 0.82 | ROCK2 (1.00) | ROCK2 | |
| SCHEMBL16345037 | 0.82 | ROCK2 (1.00) | ROCK2 | |
| SCHEMBL18901399 | 0.82 | ROCK2 (0.79) | ROCK2ALDH1A1 | |
| SCHEMBL17783698 | 0.81 | ROCK2 (1.00) | ROCK2MAPT | |
| SCHEMBL16346033 | 0.81 | ROCK2 (0.65) | ROCK2KDM4EALDH1A1 | |
| SCHEMBL17783589 | 0.80 | ROCK2 (1.00) | ROCK2 | |
| SCHEMBL18901205 | 0.80 | ROCK2 (0.77) | ROCK2 | |
| SCHEMBL18901044 | 0.80 | ROCK2 (0.68) | ROCK2 | |
| SCHEMBL18901197 | 0.79 | ROCK2 (0.77) | ROCK2 |
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 |