Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 1.00 |
| ▸ | NOS1 | P29475 | 5/20 | 0.78 |
| ▸ | NOS3 | P29474 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 SCHEMBL8376957 | 0.99 | NOS2 (0.98) | NOS2NOS1NOS3ALDH1A1TDP1 | |
| SCHEMBL7938121 | 0.89 | NOS2 (0.81) | NOS2NOS1NOS3ALDH1A1APP | |
| Hydrochloric Acid SCHEMBL8381053 | 0.88 | NOS2 (0.79) | NOS2NOS1NOS3ALDH1A1APP | |
| SCHEMBL7940883 | 0.88 | NOS2 (1.00) | NOS2NOS1NOS3ALDH1A1TDP1 | |
| SCHEMBL7940741 | 0.87 | NOS2 (0.76) | NOS2NOS1NOS3ALDH1A1APP | |
| Hydrochloric Acid SCHEMBL8379951 | 0.87 | NOS2 (0.98) | NOS2NOS1NOS3ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL8380110 | 0.86 | NOS2 (0.75) | NOS2NOS1NOS3ALDH1A1APP | |
| SCHEMBL7938165 | 0.83 | NOS2 (0.70) | NOS2NOS1NOS3ALDH1A1APP | |
| Hydrochloric Acid SCHEMBL8379762 | 0.82 | NOS2 (0.69) | NOS2NOS1NOS3ALDH1A1OPRM1 | |
| SCHEMBL7931849 | 0.81 | NOS2 (0.87) | NOS2NOS1NOS3ALDH1A1TDP1 |
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 |