Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 15/20 | 1.00 |
| ▸ | NOS3 | P29474 | 5/20 | 0.58 |
| ▸ | NOS1 | P29475 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 SCHEMBL8381699 | 0.98 | NOS2 (0.97) | NOS2NOS3NOS1LMNATSHR | |
| SCHEMBL7806714 | 0.97 | NOS2 (1.00) | NOS2NOS3NOS1LMNATSHR | |
| Hydrochloric Acid SCHEMBL8377856 | 0.95 | NOS2 (0.97) | NOS2NOS3NOS1LMNATSHR | |
| SCHEMBL7805021 | 0.93 | NOS2 (1.00) | NOS2NOS3NOS1LMNATSHR | |
| Hydrochloric Acid SCHEMBL8378274 | 0.92 | NOS2 (0.97) | NOS2NOS3NOS1LMNATSHR | |
| SCHEMBL7804423 | 0.74 | NOS2 (1.00) | NOS2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL8381996 | 0.73 | NOS2 (0.97) | NOS2NOS3NOS1 | |
| SCHEMBL7803338 | 0.69 | NOS2 (1.00) | NOS2NOS3GAAHSD17B10 | |
| Hydrochloric Acid SCHEMBL8382003 | 0.68 | NOS2 (0.96) | NOS2NOS3GAAHSD17B10 | |
| SCHEMBL7802794 | 0.67 | NOS2 (1.00) | NOS2NOS3NOS1ALDH1A1HPGD |
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 4 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 |
| CN-1204327-A | Pharmaceutically active quinazoline compounds | ASTRA PHARMA PROD (GB) | 1999-01-06 | — | — | CN | disclosed |