Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 0.76 |
| ▸ | NOS1 | P29475 | 7/20 | 0.76 |
| ▸ | NOS3 | P29474 | 2/20 | 0.76 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 SCHEMBL8381696 | 0.99 | NOS2 (0.75) | NOS2NOS1NOS3GRIN2BKCNH2 | |
| SCHEMBL7938445 | 0.95 | NOS2 (0.73) | NOS2NOS1NOS3GRIN2BKCNH2 | |
| SCHEMBL7943052 | 0.94 | NOS2 (0.72) | NOS2NOS1NOS3GRIN2BKCNH2 | |
| Hydrochloric Acid SCHEMBL8379953 | 0.94 | NOS2 (0.72) | NOS2NOS1NOS3GRIN2BKCNH2 | |
| Hydrochloric Acid SCHEMBL8376657 | 0.93 | NOS2 (0.71) | NOS2NOS1NOS3GRIN2BKCNH2 | |
| Hydrochloric Acid SCHEMBL8381880 | 0.91 | NOS2 (0.71) | NOS2NOS1NOS3KCNH2OPRD1 | |
| SCHEMBL7940561 | 0.90 | NOS2 (0.70) | NOS2NOS1NOS3GRIN2BKCNH2 | |
| SCHEMBL7931930 | 0.90 | NOS2 (0.75) | NOS2NOS1NOS3KCNH2OPRD1 | |
| Hydrochloric Acid SCHEMBL8376646 | 0.90 | NOS2 (0.69) | NOS2NOS1NOS3GRIN2BKCNH2 | |
| Hydrochloric Acid SCHEMBL8377001 | 0.89 | NOS2 (0.73) | NOS2NOS1NOS3KCNH2OPRD1 |
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 1 patent. 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 |