Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 8/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4073023 | 0.98 | GRM5 (0.40) | GRM5HSD11B1USP2TSHRSPR | |
| SCHEMBL4072600 | 0.92 | GRM5 (0.42) | GRM5HSD11B1USP2TSHRCYP3A4 | |
| SCHEMBL4062012 | 0.88 | GRM5 (0.37) | GRM5HSD11B1USP2CYP1A2CYP2C9 | |
| SCHEMBL4066096 | 0.86 | USP2 (0.38) | GRM5HSD11B1USP2TSHRCYP3A4 | |
| SCHEMBL4067784 | 0.86 | GRM5 (0.34) | GRM5HSD11B1USP2CYP3A4CYP2C19 | |
| SCHEMBL4061831 | 0.82 | USP2 (0.33) | GRM5USP2SPRCYP3A4CYP2C19 | |
| SCHEMBL4069282 | 0.77 | CYP3A4 (0.32) | USP2TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL4063197 | 0.77 | HRH3 (0.36) | GRM5 | |
| SCHEMBL4060980 | 0.74 | HRH3 (0.35) | USP2TSHRCYP3A4CYP2C19CYP1A2 | |
| SCHEMBL4070868 | 0.73 | CYP3A4 (0.38) | USP2TSHRCYP3A4CYP2C19CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |