Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 13/20 | 0.67 |
| ▸ | NOS1 | P29475 | 11/20 | 0.67 |
| ▸ | NOS3 | P29474 | 4/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NEK2 | P51955 | 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 SCHEMBL8376619 | 0.99 | NOS2 (0.66) | NOS2NOS1NOS3KCNH2DUSP3 | |
| Hydrochloric Acid SCHEMBL8378451 | 0.87 | NOS2 (0.72) | NOS2NOS1NOS3KCNH2HTR5A | |
| SCHEMBL7796761 | 0.85 | NOS2 (0.72) | NOS2NOS1NOS3KCNH2HTR5A | |
| SCHEMBL7931838 | 0.84 | NOS2 (0.70) | NOS2NOS1NOS3KCNH2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8379855 | 0.83 | NOS2 (0.80) | NOS2NOS1NOS3KCNH2KDM4E | |
| Hydrochloric Acid SCHEMBL8380988 | 0.83 | NOS2 (0.81) | NOS2NOS1NOS3KCNH2KDM4E | |
| Hydrochloric Acid SCHEMBL8376987 | 0.83 | NOS2 (0.69) | NOS2NOS1NOS3KCNH2ALDH1A1 | |
| SCHEMBL7803463 | 0.83 | NOS2 (0.69) | NOS2NOS1NOS3KCNH2NEK2 | |
| SCHEMBL8667931 | 0.83 | NOS2 (0.65) | NOS2NOS1NOS3KCNH2DUSP3 | |
| SCHEMBL7805035 | 0.82 | NOS2 (0.81) | NOS2NOS1NOS3KCNH2ALDH1A1 |
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 |