Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 10/20 | 0.64 |
| ▸ | NOS3 | P29474 | 7/20 | 0.55 |
| ▸ | NOS1 | P29475 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 SCHEMBL8379895 | 0.99 | NOS2 (0.63) | NOS2NOS3NOS1ALDH1A1HPGD | |
| SCHEMBL7931766 | 0.84 | NOS2 (0.70) | NOS2NOS3NOS1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8517529 | 0.83 | NOS2 (0.68) | NOS2NOS3NOS1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8378401 | 0.80 | NOS2 (0.59) | NOS2NOS3NOS1ALDH1A1HPGD | |
| SCHEMBL7931742 | 0.79 | NOS2 (1.00) | NOS2NOS3NOS1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8378184 | 0.77 | NOS2 (0.97) | NOS2NOS3NOS1ALDH1A1HPGD | |
| SCHEMBL7803363 | 0.73 | NOS2 (0.72) | NOS2NOS3NOS1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8378587 | 0.72 | NOS2 (0.70) | NOS2NOS3NOS1ALDH1A1HPGD | |
| SCHEMBL8056719 | 0.70 | NOS3 (0.63) | NOS2NOS3NOS1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL8090620 | 0.69 | NOS3 (0.61) | NOS2NOS3NOS1ALDH1A1MAPT |
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 2 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 |
| CN-1204327-A | Pharmaceutically active quinazoline compounds | ASTRA PHARMA PROD (GB) | 1999-01-06 | — | — | CN | disclosed |