Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.36 |
| ▸ | NOS1 | P29475 | 5/20 | 0.36 |
| ▸ | NOS2 | P35228 | 5/20 | 0.36 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL5241724 | 1.00 | NOS3 (0.36) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL5189277 | 0.99 | NOS3 (0.37) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL5188387 | 0.99 | NOS3 (0.37) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL5189228 | 0.89 | NOS1 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL7843673 | 0.86 | MC4R (0.43) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL6308988 | 0.85 | MC4R (0.42) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL5189703 | 0.85 | BACE1 (0.38) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL5470037 | 0.85 | NOS3 (0.35) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL6305979 | 0.84 | NOS3 (0.38) | NOS3NOS1NOS2PARP1 | |
| Hydrochloric Acid SCHEMBL5189769 | 0.84 | NOS1 (0.36) | NOS3NOS1NOS2PARP1 |
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-1282610-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2007-07-25 | — | — | EP | claimed |