Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 11/20 | 0.67 |
| ▸ | NOS1 | P29475 | 4/20 | 0.67 |
| ▸ | NOS3 | P29474 | 5/20 | 0.56 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7806706 | 0.86 | NOS2 (0.80) | NOS2NOS1NOS3PBRM1GAA | |
| Hydrochloric Acid SCHEMBL8377859 | 0.85 | NOS2 (0.78) | NOS2NOS1NOS3PBRM1GAA | |
| SCHEMBL7806675 | 0.85 | NOS2 (0.81) | NOS2NOS1NOS3PBRM1 | |
| Hydrochloric Acid SCHEMBL8517333 | 0.83 | NOS2 (0.79) | NOS2NOS1NOS3PBRM1 | |
| SCHEMBL7806785 | 0.81 | NOS2 (1.00) | NOS2NOS1NOS3PBRM1KDM4E | |
| Hydrochloric Acid SCHEMBL8382095 | 0.80 | NOS2 (0.97) | NOS2NOS1NOS3PBRM1KDM4E | |
| SCHEMBL7796643 | 0.76 | NOS2 (0.76) | NOS2NOS1NOS3PBRM1GAA | |
| SCHEMBL7802813 | 0.75 | NOS2 (0.74) | NOS2NOS1NOS3PBRM1GAA | |
| SCHEMBL7804445 | 0.75 | NOS2 (0.74) | NOS2NOS1NOS3PBRM1GAA | |
| Hydrochloric Acid SCHEMBL8518044 | 0.75 | NOS2 (0.74) | NOS2NOS1NOS3PBRM1GAA |
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 |