Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.55 |
| ▸ | NOS3 | P29474 | 2/20 | 0.55 |
| ▸ | NOS1 | P29475 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 SCHEMBL8381004 | 0.99 | NOS2 (0.54) | NOS2NOS3NOS1GAAKDM4E | |
| Hydrochloric Acid SCHEMBL8379709 | 0.93 | NOS2 (0.61) | NOS2NOS3NOS1GAAKDM4E | |
| SCHEMBL7938165 | 0.87 | NOS2 (0.70) | NOS2NOS3NOS1GAAKDM4E | |
| Hydrochloric Acid SCHEMBL8379762 | 0.86 | NOS2 (0.69) | NOS2NOS3NOS1GAAKDM4E | |
| Hydrochloric Acid SCHEMBL8546064 | 0.75 | NOS2 (0.54) | NOS2NOS3NOS1ALDH1A1MEN1 | |
| SCHEMBL7805040 | 0.74 | NOS2 (0.51) | NOS2NOS3NOS1ALDH1A1MEN1 | |
| SCHEMBL7803469 | 0.74 | NOS2 (0.50) | NOS2NOS3NOS1GAAALDH1A1 | |
| SCHEMBL7960376 | 0.74 | NOS2 (0.64) | NOS2NOS3NOS1GAAKDM4E | |
| SCHEMBL7802933 | 0.73 | CYP2D6 (0.47) | NOS2GAAKDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7960401 | 0.73 | NOS2 (0.63) | NOS2NOS3NOS1GAAKDM4E |
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 |