Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 17/20 | 1.00 |
| ▸ | NOS2 | P35228 | 10/20 | 1.00 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 SCHEMBL8098227 | 0.98 | NOS3 (0.97) | NOS3NOS2GSK3BBACE1KDM1A | |
| SCHEMBL8060978 | 0.88 | NOS3 (1.00) | NOS3NOS2GSK3BBACE1KDM1A | |
| Hydrochloric Acid SCHEMBL8105417 | 0.86 | NOS3 (0.97) | NOS3NOS2GSK3BBACE1KDM1A | |
| SCHEMBL8057575 | 0.84 | NOS3 (1.00) | NOS3NOS2GSK3BBACE1 | |
| Hydrochloric Acid SCHEMBL8090685 | 0.83 | NOS3 (0.97) | NOS3NOS2GSK3BBACE1 | |
| SCHEMBL8060901 | 0.75 | NOS3 (1.00) | NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL8099002 | 0.74 | NOS3 (0.97) | NOS3NOS2 | |
| SCHEMBL8060982 | 0.73 | NOS3 (0.68) | NOS3NOS2 | |
| SCHEMBL8058500 | 0.73 | NOS3 (1.00) | NOS3NOS2GSK3BBACE1KDM1A | |
| SCHEMBL8058383 | 0.73 | NOS3 (1.00) | NOS3NOS2GSK3BBACE1KDM1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027052-A1 | NOVEL COMBINATION | AstraZeneca UK Limited (GB) | 2000-08-16 | — | — | EP | claimed |
| US-6046191-A | PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS | ASTRA PHARMACEUTICALS LTD. (GB) | 2000-04-04 | — | — | US | claimed |
| WO-1999018960-A1 | NOVEL COMBINATION | ASTRAZENECA UK LIMITED (GB) | 1999-04-22 | — | — | WO | claimed |
| EP-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | claimed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | claimed |
| EP-1027052-A1 | NOVEL COMBINATION | AstraZeneca UK Limited (GB) | 2000-08-16 | — | — | EP | disclosed |
| US-6046191-A | PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS | ASTRA PHARMACEUTICALS LTD. (GB) | 2000-04-04 | — | — | US | disclosed |
| WO-1999018960-A1 | NOVEL COMBINATION | ASTRAZENECA UK LIMITED (GB) | 1999-04-22 | — | — | WO | disclosed |