Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 12/20 | 0.48 |
| ▸ | NOS1 | P29475 | 7/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7803469 | 0.88 | NOS2 (0.50) | NOS2NOS1NOS3GAAALDH1A1 | |
| SCHEMBL7804452 | 0.86 | NOS2 (0.57) | NOS2NOS1NOS3ALDH1A1NEK2 | |
| Hydrochloric Acid SCHEMBL8378262 | 0.85 | NOS2 (0.56) | NOS2NOS1NOS3ALDH1A1NEK2 | |
| SCHEMBL7803377 | 0.84 | NOS2 (0.55) | NOS2NOS1NOS3ALDH1A1NEK2 | |
| SCHEMBL7796711 | 0.84 | NOS2 (0.58) | NOS2NOS1NOS3NEK2KCNH2 | |
| Hydrochloric Acid SCHEMBL8546064 | 0.84 | NOS2 (0.54) | NOS2NOS1NOS3ALDH1A1HPGD | |
| SCHEMBL7796668 | 0.83 | NOS2 (0.57) | NOS2NOS1NOS3ALDH1A1NEK2 | |
| SCHEMBL7931778 | 0.83 | NOS2 (0.57) | NOS2NOS1NOS3GAAALDH1A1 | |
| SCHEMBL7941207 | 0.83 | NOS2 (0.51) | NOS2NOS1NOS3ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8376638 | 0.83 | NOS2 (0.54) | NOS2NOS1NOS3ALDH1A1NEK2 |
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 |