Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 5/20 | 0.43 |
| ▸ | NOS1 | P29475 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8382208 | 0.99 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7940838 | 0.84 | NOS1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7796696 | 0.83 | NOS2 (0.48) | NOS2NOS1HTTNOS3MAPT | |
| Hydrochloric Acid SCHEMBL8376562 | 0.83 | NOS1 (0.52) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8376505 | 0.82 | NOS2 (0.47) | NOS2NOS1HTTNOS3MAPT | |
| SCHEMBL7804502 | 0.82 | RXFP1 (0.53) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8376490 | 0.81 | RXFP1 (0.52) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8378262 | 0.79 | NOS2 (0.56) | HPGDNOS2NOS1NOS3 | |
| SCHEMBL7943022 | 0.79 | NOS2 (0.48) | HPGDNOS2NOS1HTTNOS3 | |
| SCHEMBL7803377 | 0.78 | NOS2 (0.55) | HPGDNOS2NOS1NOS3 |
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 |