Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 1/20 | 0.59 |
| ▸ | NOS2 | P35228 | 8/20 | 0.56 |
| ▸ | NOS1 | P29475 | 7/20 | 0.56 |
| ▸ | ABL1 | P00519 | 3/20 | 0.47 |
| ▸ | BCR | P11274 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 SCHEMBL8376992 | 0.99 | NEK2 (0.58) | NEK2NOS2NOS1ABL1BCR | |
| SCHEMBL7796711 | 0.91 | NOS2 (0.58) | NEK2NOS2NOS1NOS3CA12 | |
| SCHEMBL7804452 | 0.91 | NOS2 (0.57) | NEK2NOS2NOS1HPGDNOS3 | |
| Hydrochloric Acid SCHEMBL8379932 | 0.90 | NOS2 (0.57) | NEK2NOS2NOS1NOS3CA12 | |
| SCHEMBL7931778 | 0.90 | NOS2 (0.57) | NEK2NOS2NOS1NOS3KCNH2 | |
| SCHEMBL7796668 | 0.90 | NOS2 (0.57) | NEK2NOS2NOS1NOS3CA12 | |
| Hydrochloric Acid SCHEMBL8378262 | 0.90 | NOS2 (0.56) | NEK2NOS2NOS1HPGDNOS3 | |
| Hydrochloric Acid SCHEMBL8377866 | 0.89 | NOS2 (0.56) | NEK2NOS2NOS1NOS3CA12 | |
| Hydrochloric Acid SCHEMBL8376965 | 0.89 | NOS2 (0.56) | NEK2NOS2NOS1NOS3KCNH2 | |
| SCHEMBL7805028 | 0.89 | NOS2 (0.56) | NEK2NOS2NOS1ABL1BCR |
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 |