Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.48 |
| ▸ | NOS1 | P29475 | 5/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 SCHEMBL8376505 | 0.99 | NOS2 (0.47) | NOS2NOS1NOS3HTTABL1 | |
| SCHEMBL7806855 | 0.84 | NOS2 (0.51) | NOS2NOS1NOS3ABL1BCR | |
| SCHEMBL7806816 | 0.84 | NOS2 (0.56) | NOS2NOS1NOS3ABL1BCR | |
| SCHEMBL7804452 | 0.84 | NOS2 (0.57) | NOS2NOS1NOS3ALDH1A1 | |
| SCHEMBL7803469 | 0.83 | NOS2 (0.50) | NOS2NOS1NOS3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8379564 | 0.83 | NOS2 (0.55) | NOS2NOS1NOS3ABL1BCR | |
| Hydrochloric Acid SCHEMBL8381626 | 0.83 | NOS2 (0.50) | NOS2NOS1NOS3ABL1BCR | |
| SCHEMBL7802976 | 0.83 | CA12 (0.46) | NOS2NOS1NOS3HTTMAPT | |
| Hydrochloric Acid SCHEMBL8378262 | 0.83 | NOS2 (0.56) | NOS2NOS1NOS3ALDH1A1 | |
| SCHEMBL7802914 | 0.83 | GABRD (0.53) | NOS2NOS1NOS3ABL1BCR |
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 |