Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 12/20 | 1.00 |
| ▸ | NOS3 | P29474 | 7/20 | 1.00 |
| ▸ | NOS1 | P29475 | 5/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.30 |
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 SCHEMBL8379640 | 0.99 | NOS2 (0.97) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL7803363 | 0.84 | NOS2 (0.72) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8378587 | 0.83 | NOS2 (0.70) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL7940842 | 0.79 | NOS2 (0.65) | NOS2NOS3NOS1BACE1GAA | |
| SCHEMBL7806689 | 0.79 | NOS2 (1.00) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8380046 | 0.78 | NOS2 (0.64) | NOS2NOS3NOS1GAA | |
| Hydrochloric Acid SCHEMBL8379794 | 0.77 | NOS2 (0.97) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL7806675 | 0.77 | NOS2 (0.81) | NOS2NOS3NOS1BACE1PBRM1 | |
| Hydrochloric Acid SCHEMBL8517333 | 0.76 | NOS2 (0.79) | NOS2NOS3NOS1BACE1PBRM1 | |
| SCHEMBL7806785 | 0.76 | NOS2 (1.00) | NOS2NOS3NOS1KDM4EALDH1A1 |
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 |