Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4064515 | 0.81 | KDM4E (0.34) | CYP3A4TSHRCYP2D6 | |
| SCHEMBL4069858 | 0.79 | HSD11B1 (0.40) | CYP3A4USP2CYP2C19TSHRCYP1A2 | |
| SCHEMBL4072608 | 0.77 | HRH3 (0.38) | KCNH2 | |
| SCHEMBL5681764 | 0.74 | CYP1A2 (0.42) | CYP1A2ALDH1A1 | |
| SCHEMBL4067943 | 0.74 | TSHR (0.39) | CYP3A4USP2CYP2C19TSHRCYP1A2 | |
| SCHEMBL4073023 | 0.74 | GRM5 (0.40) | CYP3A4USP2CYP2C19TSHRCYP1A2 | |
| SCHEMBL4065509 | 0.74 | TSHR (0.34) | CYP3A4USP2TSHRCYP1A2HIF1A | |
| SCHEMBL4070867 | 0.74 | CYP3A4 (0.44) | CYP3A4USP2CYP2C19TSHRCYP1A2 | |
| SCHEMBL4066201 | 0.73 | GRM5 (0.42) | CYP3A4USP2CYP2C19TSHRCYP1A2 | |
| SCHEMBL4069282 | 0.73 | CYP3A4 (0.32) | CYP3A4USP2CYP2C19TSHRCYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2520568-B1 | Spirocyclic nitriles as inhibitors of protease | SANOFI SA (FR) | 2015-09-09 | — | — | EP | disclosed |
| 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 |