Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.45 |
| ▸ | NOS1 | P29475 | 6/20 | 0.45 |
| ▸ | NOS2 | P35228 | 6/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6302923 | 0.99 | NOS3 (0.46) | NOS3NOS1NOS2PARP1MAOA | |
| SCHEMBL6996676 | 0.96 | NOS3 (0.41) | NOS3NOS1NOS2PARP1MAOA | |
| Hydrochloric Acid SCHEMBL6999033 | 0.95 | NOS3 (0.42) | NOS3NOS1NOS2PARP1MAOA | |
| SCHEMBL6609746 | 0.90 | NOS3 (0.54) | NOS3NOS1NOS2PARP1CYP1A2 | |
| Hydrochloric Acid SCHEMBL6306275 | 0.89 | NOS3 (0.56) | NOS3NOS1NOS2PARP1CYP1A2 | |
| SCHEMBL7002475 | 0.88 | NOS3 (0.55) | NOS3NOS1NOS2PARP1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7004141 | 0.87 | NOS1 (0.57) | NOS3NOS1NOS2PARP1CYP1A2 | |
| SCHEMBL6609190 | 0.86 | NOS3 (0.43) | NOS3NOS1NOS2PARP1MEN1 | |
| Hydrochloric Acid SCHEMBL6302705 | 0.86 | NOS1 (0.46) | NOS3NOS1NOS2PARP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL6999135 | 0.85 | MEN1 (0.43) | NOS3NOS1NOS2PARP1HTT |
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-1114037-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | SCHERING AG (DE) | 2004-05-12 | — | — | EP | claimed |