Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
| ▸ | CSNK2A3 | Q8NEV1 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6857277 | 0.90 | ROCK2 (0.36) | ROCK2MAPK1ROCK1 | |
| SCHEMBL2370469 | 0.88 | AKT1 (0.45) | ROCK2 | |
| SCHEMBL6856875 | 0.84 | ROCK2 (0.41) | ROCK2 | |
| SCHEMBL2370407 | 0.81 | TRPV1 (0.47) | ROCK2MAPK1ALDH1A1TP53 | |
| SCHEMBL2370978 | 0.78 | RIPK1 (0.41) | ROCK2 | |
| SCHEMBL12301416 | 0.78 | CYP2C9 (0.47) | ROCK2 | |
| SCHEMBL2371286 | 0.77 | CYP2C9 (0.44) | ROCK2 | |
| SCHEMBL14562492 | 0.76 | KDM4C (0.44) | BRD4 | |
| SCHEMBL2370285 | 0.73 | ROCK2 (0.39) | ROCK2 | |
| SCHEMBL1975529 | 0.71 | MAPK1 (0.39) | MAPK1MAPK3ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011110183-A1 | AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-09-15 | — | — | WO | disclosed |