Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5671427 | 0.78 | NOS3 (0.43) | NOS3NOS1NOS2BACE1ESR1 | |
| SCHEMBL7989336 | 0.76 | MAPT (0.43) | NOS3NOS1NOS2ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7980991 | 0.75 | MAPT (0.42) | NOS3NOS1NOS2ESR1ESR2 | |
| SCHEMBL11056944 | 0.66 | PTGS2 (0.40) | ABCB1PTGS2CA12CA9P2RY6 | |
| SCHEMBL9765477 | 0.66 | PTGS2 (0.47) | ABCB1PTGS2CA12CA9P2RY6 | |
| SCHEMBL6995122 | 0.64 | ABCB1 (0.38) | ABCB1 | |
| SCHEMBL30806499 | 0.64 | PARP1 (0.55) | ABCB1 | |
| SCHEMBL6999048 | 0.64 | PARP1 (0.55) | ABCB1 | |
| SCHEMBL6646269 | 0.63 | NOS1 (0.79) | NOS3NOS1NOS2 | |
| SCHEMBL13594010 | 0.62 | ABCB1 (0.42) | ABCB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |