Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.51 |
| ▸ | NOS3 | P29474 | 2/20 | 0.51 |
| ▸ | NOS1 | P29475 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.47 |
| ▸ | USP2 | O75604 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 SCHEMBL8378308 | 0.99 | NOS2 (0.50) | NOS2NOS3NOS1CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8546064 | 0.85 | NOS2 (0.54) | NOS2NOS3NOS1CYP3A4ALDH1A1 | |
| SCHEMBL7938165 | 0.84 | NOS2 (0.70) | NOS2NOS3NOS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8379762 | 0.83 | NOS2 (0.69) | NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL7943022 | 0.83 | NOS2 (0.48) | NOS2NOS3NOS1ALDH1A1HPGD | |
| SCHEMBL7803469 | 0.82 | NOS2 (0.50) | NOS2NOS3NOS1CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8378262 | 0.81 | NOS2 (0.56) | NOS2NOS3NOS1ALDH1A1TP53 | |
| SCHEMBL7796668 | 0.80 | NOS2 (0.57) | NOS2NOS3NOS1CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8377866 | 0.79 | NOS2 (0.56) | NOS2NOS3NOS1CYP3A4ALDH1A1 | |
| SCHEMBL7796711 | 0.78 | NOS2 (0.58) | NOS2NOS3NOS1 |
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 1 patent. 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 |