Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 18/20 | 0.45 |
| ▸ | NOS1 | P29475 | 16/20 | 0.43 |
| ▸ | NOS3 | P29474 | 11/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3953417 | 0.84 | NOS2 (0.53) | NOS2NOS1NOS3 | |
| SCHEMBL4119112 | 0.78 | KDM4E (0.55) | NOS2NOS1MAPTCYP3A4CYP2C19 | |
| SCHEMBL3949025 | 0.75 | NOS2 (0.51) | NOS2NOS1NOS3CYP3A4CYP2C19 | |
| SCHEMBL13847371 | 0.70 | NOS2 (0.59) | NOS2NOS1NOS3 | |
| SCHEMBL4118331 | 0.70 | TNKS2 (0.46) | NOS2NOS1NOS3 | |
| SCHEMBL8936160 | 0.69 | GRIN2D (0.43) | MAPTCYP3A4 | |
| SCHEMBL4128670 | 0.68 | NOS2 (0.52) | NOS2NOS1NOS3MAPTCYP3A4 | |
| SCHEMBL28402937 | 0.67 | LMNA (0.60) | MAPT | |
| SCHEMBL30041447 | 0.67 | LMNA (0.60) | MAPT | |
| SCHEMBL30031464 | 0.66 | MEP1B (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |
| 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 |