Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 15/20 | 0.79 |
| ▸ | NOS3 | P29474 | 14/20 | 0.79 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 SCHEMBL8099431 | 0.98 | NOS2 (0.77) | NOS2NOS3TSHR | |
| SCHEMBL8057421 | 0.89 | NOS3 (1.00) | NOS2NOS3TSHR | |
| Hydrochloric Acid SCHEMBL8105225 | 0.87 | NOS3 (0.96) | NOS2NOS3TSHR | |
| SCHEMBL8060964 | 0.69 | NOS3 (1.00) | NOS2NOS3TSHR | |
| SCHEMBL29832894 | 0.69 | NOS3 (0.42) | NOS2NOS3 | |
| SCHEMBL29832557 | 0.68 | NOS3 (0.41) | NOS2NOS3 | |
| Iodide SCHEMBL8098294 | 0.68 | NOS3 (0.96) | NOS2NOS3TSHR | |
| SCHEMBL27723083 | 0.68 | HTR2C (0.43) | TSHR | |
| SCHEMBL251337 | 0.67 | NOS3 (1.00) | NOS2NOS3 | |
| Hydrochloric Acid SCHEMBL9592368 | 0.67 | ACHE (0.63) | TSHR |
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 |