Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 13/20 | 1.00 |
| ▸ | HTR5A | P47898 | 4/20 | 0.42 |
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 SCHEMBL8382185 | 0.98 | NOS2 (0.97) | NOS2HTR5ANOS3HTR1AHTR2C | |
| SCHEMBL7802803 | 0.81 | NOS2 (0.68) | NOS2HTR5ANOS3 | |
| Hydrochloric Acid SCHEMBL8377772 | 0.79 | NOS2 (0.66) | NOS2HTR5ANOS3 | |
| SCHEMBL7805025 | 0.78 | NOS2 (0.64) | NOS2HTR5ANOS3 | |
| Hydrochloric Acid SCHEMBL8376497 | 0.77 | NOS2 (0.62) | NOS2HTR5ANOS3 | |
| SCHEMBL7803338 | 0.76 | NOS2 (1.00) | NOS2HTR5ANOS3CHRM1 | |
| Hydrochloric Acid SCHEMBL8382003 | 0.74 | NOS2 (0.96) | NOS2HTR5ANOS3CHRM1 | |
| SCHEMBL7806671 | 0.74 | NOS2 (0.57) | NOS2 | |
| Hydrochloric Acid SCHEMBL27508157 | 0.73 | NOS2 (0.58) | NOS2HTR5ANOS3JAK2CHRM1 | |
| SCHEMBL7806698 | 0.72 | NOS2 (0.54) | NOS2 |
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 4 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 |
| CN-1204327-A | Pharmaceutically active quinazoline compounds | ASTRA PHARMA PROD (GB) | 1999-01-06 | — | — | CN | disclosed |