Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRD | O14764 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.53 |
| ▸ | NOS2 | P35228 | 6/20 | 0.52 |
| ▸ | NOS1 | P29475 | 5/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | BCR | P11274 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | NEK2 | P51955 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
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 SCHEMBL8376639 | 0.99 | GABRD (0.52) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL7806855 | 0.91 | NOS2 (0.51) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| Hydrochloric Acid SCHEMBL8381626 | 0.90 | NOS2 (0.50) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL7806816 | 0.89 | NOS2 (0.56) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL7802857 | 0.89 | NOS2 (0.53) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL7804452 | 0.89 | NOS2 (0.57) | NOS2NOS1HPGDNOS3CHRM2 | |
| SCHEMBL7940819 | 0.88 | NOS2 (0.52) | NOS2NOS1NOS3NEK2 | |
| Hydrochloric Acid SCHEMBL8379564 | 0.88 | NOS2 (0.55) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| Hydrochloric Acid SCHEMBL8378262 | 0.88 | NOS2 (0.56) | NOS2NOS1HPGDNOS3CHRM2 | |
| Hydrochloric Acid SCHEMBL8376649 | 0.87 | NOS2 (0.52) | NOS2NOS1NOS3NEK2 |
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 |