Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 2/20 | 0.43 |
| ▸ | MC5R | P33032 | 2/20 | 0.43 |
| ▸ | MC3R | P41968 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 6/20 | 0.38 |
| ▸ | NOS3 | P29474 | 5/20 | 0.38 |
| ▸ | NOS2 | P35228 | 5/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
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 SCHEMBL6308988 | 0.99 | MC4R (0.42) | MC4RMC5RMC3RNOS1NOS3 | |
| Hydrochloric Acid SCHEMBL6608313 | 0.93 | MC4R (0.38) | MC4RMC5RMC3RNOS1NOS3 | |
| Hydrochloric Acid SCHEMBL6305979 | 0.88 | NOS3 (0.38) | MC4RMC5RMC3RNOS1NOS3 | |
| Hydrochloric Acid SCHEMBL5189769 | 0.88 | NOS1 (0.36) | MC4RMC5RNOS1NOS3NOS2 | |
| SCHEMBL6611984 | 0.87 | PARP1 (0.45) | NOS1NOS3NOS2PARP1KDM4E | |
| SCHEMBL5241724 | 0.86 | NOS3 (0.36) | NOS1NOS3NOS2PARP1 | |
| SCHEMBL5211007 | 0.86 | NOS3 (0.36) | NOS1NOS3NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL6302797 | 0.86 | PARP1 (0.44) | NOS1NOS3NOS2PARP1ROCK2 | |
| Hydrochloric Acid SCHEMBL5189277 | 0.85 | NOS3 (0.37) | NOS1NOS3NOS2PARP1CYP1A2 | |
| Hydrochloric Acid SCHEMBL5188387 | 0.85 | NOS3 (0.37) | NOS1NOS3NOS2PARP1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1319097-A | Benzoxazine and benzothiazine derivatives and their use in medicines | SCHERING AG (DE) | 2001-10-24 | — | — | CN | disclosed |
| EP-1114037-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | Schering Aktiengesellschaft (DE) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000017173-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-03-30 | — | — | WO | disclosed |