Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | METAP1 | P53582 | 1/20 | 0.47 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25781990 | 0.78 | COMT (0.39) | METAP2METAP1COMTROCK2ROCK1 | |
| SCHEMBL25293136 | 0.71 | COMT (0.36) | COMTAURKAROCK1PIK3CDPIK3CA | |
| SCHEMBL2674607 | 0.68 | NPC1 (0.60) | METAP2METAP1AURKAALDH1A1KDM4E | |
| SCHEMBL15950989 | 0.67 | COMT (0.60) | METAP2COMTROCK2ROCK1CDC42BPB | |
| SCHEMBL4046146 | 0.67 | METAP2 (0.64) | METAP2METAP1AURKAPI4KAPI4KB | |
| SCHEMBL813686 | 0.67 | METAP2 (0.44) | METAP2METAP1AURKAEGLN1ALDH1A1 | |
| SCHEMBL25781276 | 0.66 | RIPK1 (0.50) | COMT | |
| SCHEMBL24075247 | 0.66 | METAP1 (0.51) | METAP2METAP1COMTKDM4ENPC1 | |
| SCHEMBL4057019 | 0.65 | METAP2 (0.47) | METAP2METAP1GRM4CYP19A1LATS1 | |
| SCHEMBL10743109 | 0.65 | METAP2 (0.47) | METAP2METAP1AURKAROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |