Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 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 SCHEMBL8379804 | 0.99 | CYP2D6 (0.46) | CYP2D6NOS2ALDH1A1KDM4ELMNA | |
| SCHEMBL7805049 | 0.93 | POLB (0.44) | CYP2D6NOS2ALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL8379825 | 0.92 | POLB (0.43) | CYP2D6NOS2ALDH1A1KDM4ELMNA | |
| SCHEMBL7796674 | 0.85 | POLB (0.49) | NOS2ALDH1A1KDM4ELMNAHTT | |
| Hydrochloric Acid SCHEMBL8380986 | 0.84 | POLB (0.48) | NOS2ALDH1A1KDM4ELMNAHTT | |
| SCHEMBL7796701 | 0.77 | NOS2 (0.57) | NOS2ALDH1A1KDM4ELMNAHTT | |
| SCHEMBL7796722 | 0.76 | NOS2 (0.56) | NOS2ALDH1A1KDM4ELMNAHTT | |
| Hydrochloric Acid SCHEMBL8380958 | 0.76 | NOS2 (0.56) | NOS2ALDH1A1KDM4ELMNAHTT | |
| Hydrochloric Acid SCHEMBL8377757 | 0.75 | NOS2 (0.54) | NOS2ALDH1A1KDM4ELMNAHTT | |
| SCHEMBL7940895 | 0.73 | NOS2 (0.55) | NOS2ALDH1A1KDM4ELMNAGAA |
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 |