Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 10/20 | 0.53 |
| ▸ | NOS1 | P29475 | 7/20 | 0.53 |
| ▸ | NEK2 | P51955 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7804452 | 0.91 | NOS2 (0.57) | NOS2NOS1NEK2NOS3TP53 | |
| SCHEMBL7940819 | 0.90 | NOS2 (0.52) | NOS2NOS1NEK2NOS3MGLL | |
| Hydrochloric Acid SCHEMBL8378262 | 0.90 | NOS2 (0.56) | NOS2NOS1NEK2NOS3KCNH2 | |
| Hydrochloric Acid SCHEMBL8376649 | 0.89 | NOS2 (0.52) | NOS2NOS1NEK2NOS3MGLL | |
| SCHEMBL7802914 | 0.89 | GABRD (0.53) | NOS2NOS1NEK2NOS3GABRD | |
| SCHEMBL7796711 | 0.89 | NOS2 (0.58) | NOS2NOS1NEK2NOS3CA12 | |
| Hydrochloric Acid SCHEMBL8376639 | 0.88 | GABRD (0.52) | NOS2NOS1NEK2NOS3GABRD | |
| Hydrochloric Acid SCHEMBL8379932 | 0.88 | NOS2 (0.57) | NOS2NOS1NEK2NOS3CA12 | |
| SCHEMBL7806855 | 0.87 | NOS2 (0.51) | NOS2NOS1NEK2NOS3KCNH2 | |
| SCHEMBL7803377 | 0.86 | NOS2 (0.55) | NOS2NOS1NEK2NOS3 |
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 |