Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 0.50 |
| ▸ | NOS1 | P29475 | 5/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7943022 | 0.88 | NOS2 (0.48) | NOS2NOS1NOS3GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL8546064 | 0.85 | NOS2 (0.54) | NOS2NOS1NOS3CYP2D6USP2 | |
| SCHEMBL7804452 | 0.85 | NOS2 (0.57) | NOS2NOS1NOS3ALDH1A1HPGD | |
| SCHEMBL7805040 | 0.84 | NOS2 (0.51) | NOS2NOS1NOS3ALDH1A1NEK2 | |
| SCHEMBL7938165 | 0.84 | NOS2 (0.70) | NOS2NOS1NOS3GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL8378262 | 0.84 | NOS2 (0.56) | NOS2NOS1NOS3ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8379762 | 0.83 | NOS2 (0.69) | NOS2NOS1NOS3GAAALDH1A1 | |
| SCHEMBL7806816 | 0.83 | NOS2 (0.56) | NOS2NOS1NOS3ALDH1A1CYP2C19 | |
| SCHEMBL7806855 | 0.83 | NOS2 (0.51) | NOS2NOS1NOS3ALDH1A1HPGD | |
| SCHEMBL7796696 | 0.83 | NOS2 (0.48) | NOS2NOS1NOS3ALDH1A1 |
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 3 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 |