Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 14/20 | 1.00 |
| ▸ | NOS3 | P29474 | 13/20 | 0.72 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRNA2 | Q15822 | 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 SCHEMBL8099873 | 0.99 | NOS2 (0.97) | NOS2NOS3CYP2A6 | |
| SCHEMBL8056730 | 0.84 | NOS3 (1.00) | NOS2NOS3 | |
| Hydrochloric Acid SCHEMBL8090054 | 0.83 | NOS3 (0.97) | NOS2NOS3 | |
| Hydrochloric Acid SCHEMBL8106479 | 0.78 | NOS2 (0.63) | NOS2NOS3CYP2A6CHRNA7CHRNB2 | |
| SCHEMBL8233735 | 0.77 | NOS2 (0.71) | NOS2NOS3 | |
| SCHEMBL8056698 | 0.76 | NOS3 (0.72) | NOS2NOS3CYP2A6 | |
| Hydrochloric Acid SCHEMBL8090444 | 0.75 | NOS3 (0.70) | NOS2NOS3CYP2A6 | |
| SCHEMBL8045504 | 0.74 | NOS2 (1.00) | NOS2NOS3 | |
| SCHEMBL8061009 | 0.74 | NOS2 (0.66) | NOS2NOS3ALDH1A1 | |
| SCHEMBL8057614 | 0.74 | NOS3 (0.66) | NOS2NOS3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027052-A1 | NOVEL COMBINATION | AstraZeneca UK Limited (GB) | 2000-08-16 | — | — | EP | claimed |
| US-6046191-A | PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS | ASTRA PHARMACEUTICALS LTD. (GB) | 2000-04-04 | — | — | US | claimed |
| WO-1999018960-A1 | NOVEL COMBINATION | ASTRAZENECA UK LIMITED (GB) | 1999-04-22 | — | — | WO | claimed |
| EP-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | claimed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | claimed |
| US-6046191-A | PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS | ASTRA PHARMACEUTICALS LTD. (GB) | 2000-04-04 | — | — | US | disclosed |