Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 14/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4063197 | 0.89 | HRH3 (0.36) | HRH3KCNH2KDM4E | |
| SCHEMBL4072608 | 0.89 | HRH3 (0.38) | HRH3KCNH2OPRL1 | |
| SCHEMBL4060980 | 0.87 | HRH3 (0.35) | HRH3 | |
| SCHEMBL4069282 | 0.84 | CYP3A4 (0.32) | ALDH1A1ITGB3ITGA2B | |
| SCHEMBL4061831 | 0.80 | USP2 (0.33) | — | |
| SCHEMBL4067784 | 0.80 | GRM5 (0.34) | — | |
| SCHEMBL4062012 | 0.79 | GRM5 (0.37) | ITGB3ITGA2B | |
| SCHEMBL4067285 | 0.77 | CHRM2 (0.36) | HRH3OPRL1 | |
| SCHEMBL2521200 | 0.77 | HRH3 (0.41) | HRH3KCNH2ITGB3ITGA2B | |
| SCHEMBL4065681 | 0.75 | HRH3 (0.35) | HRH3KCNH2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2032535-B1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI SA (FR) | 2012-08-01 | — | — | EP | claimed |
| EP-2032535-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | Sanofi-Aventis (FR) | 2009-03-11 | — | — | EP | claimed |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | claimed |
| EP-2520568-A1 | Spirocyclic nitriles as inhibitors of protease | SANOFI (FR) | 2012-11-07 | — | — | EP | disclosed |
| EP-2032535-B1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI SA (FR) | 2012-08-01 | — | — | EP | disclosed |
| EP-2032535-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | Sanofi-Aventis (FR) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | disclosed |