Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 14/20 | 0.68 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 4/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8377772 | 0.98 | NOS2 (0.66) | NOS2IDO1NOS3HTR5AHTR2A | |
| SCHEMBL7805025 | 0.90 | NOS2 (0.64) | NOS2IDO1NOS3HTR5AHTR2A | |
| Hydrochloric Acid SCHEMBL8376497 | 0.89 | NOS2 (0.62) | NOS2IDO1NOS3HTR5AHTR2A | |
| SCHEMBL7805015 | 0.81 | NOS2 (1.00) | NOS2NOS3HTR5A | |
| Hydrochloric Acid SCHEMBL8382185 | 0.79 | NOS2 (0.97) | NOS2NOS3HTR5A | |
| SCHEMBL7806698 | 0.71 | NOS2 (0.54) | NOS2IDO1 | |
| SCHEMBL7803338 | 0.71 | NOS2 (1.00) | NOS2NOS3HTR5A | |
| SCHEMBL7806770 | 0.69 | NOS2 (0.52) | NOS2 | |
| Hydrochloric Acid SCHEMBL8382003 | 0.69 | NOS2 (0.96) | NOS2NOS3HTR5A | |
| SCHEMBL7940874 | 0.69 | NOS2 (0.55) | NOS2IDO1NOS3HTR2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248745-B1 | MIXTURE COMPRISING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR AND A 1,2-DIHYDRO-4-AMINOQUINAZOLINE DERIVATIVE INHIBITOR OF INDUCED NITRIC OXIDE SYNTHASE (INOS); NON-STEROIDAL ANTIINFLAMMATORY AGENTS | ASTRAZENECA AB (SE) | 2001-06-19 | — | — | US | claimed |
| EP-1100505-A1 | A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR AND A iNOS INHIBITOR | AstraZeneca AB (SE) | 2001-05-23 | — | — | EP | claimed |
| WO-2000000200-A1 | A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR AND A iNOS INHIBITOR | ASTRAZENECA AB (SE) | 2000-01-06 | — | — | WO | claimed |
| EP-0858451-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997014686-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-04-24 | — | — | WO | disclosed |