Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.51 |
| ▸ | NOS3 | P29474 | 5/20 | 0.42 |
| ▸ | NOS2 | P35228 | 5/20 | 0.42 |
| ▸ | NOS1 | P29475 | 5/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 SCHEMBL6309880 | 0.99 | PARP1 (0.50) | PARP1NOS3NOS2NOS1ROCK1 | |
| SCHEMBL27466929 | 0.97 | PARP1 (0.53) | PARP1NOS3NOS2NOS1ROCK1 | |
| Hydrochloric Acid SCHEMBL7713375 | 0.96 | PARP1 (0.52) | PARP1NOS3NOS2NOS1ROCK1 | |
| Hydrochloric Acid SCHEMBL6302705 | 0.95 | NOS1 (0.46) | PARP1NOS3NOS2NOS1ROCK1 | |
| SCHEMBL6611984 | 0.92 | PARP1 (0.45) | PARP1NOS3NOS2NOS1ROCK1 | |
| SCHEMBL6608031 | 0.92 | PARP1 (0.42) | PARP1NOS3NOS2NOS1ROCK1 | |
| Hydrochloric Acid SCHEMBL6302797 | 0.91 | PARP1 (0.44) | PARP1NOS3NOS2NOS1ROCK1 | |
| Hydrochloric Acid SCHEMBL6302716 | 0.91 | NOS1 (0.43) | PARP1NOS3NOS2NOS1ROCK1 | |
| SCHEMBL6610687 | 0.90 | PARP1 (0.42) | PARP1NOS3NOS2NOS1ROCK1 | |
| SCHEMBL6609746 | 0.90 | NOS3 (0.54) | PARP1NOS3NOS2NOS1ROCK2 |
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-1114037-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | SCHERING AG (DE) | 2004-05-12 | — | — | EP | claimed |
| EP-1114037-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | Schering Aktiengesellschaft (DE) | 2001-07-11 | — | — | EP | claimed |
| WO-2000017173-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-03-30 | — | — | WO | claimed |