Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.38 |
| ▸ | USP2 | O75604 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24508756 | 0.86 | CYP2D6 (0.49) | TSHRCYP2D6USP2CYP2C19ALDH1A1 | |
| SCHEMBL4064514 | 0.86 | CYP2D6 (0.40) | TSHRCYP2D6USP2CYP2C19ALDH1A1 | |
| SCHEMBL24746614 | 0.84 | OPRM1 (0.42) | TSHRCYP2D6USP2CYP2C19ALDH1A1 | |
| SCHEMBL22849045 | 0.81 | CYP2D6 (0.41) | TSHRCYP2D6USP2CYP2C19ALDH1A1 | |
| SCHEMBL20472810 | 0.79 | USP2 (0.47) | TSHRCYP2D6USP2CYP2C19ALDH1A1 | |
| SCHEMBL21107120 | 0.78 | TSHR (0.41) | TSHROPRM1OPRL1 | |
| SCHEMBL4065509 | 0.78 | TSHR (0.34) | TSHRCYP2D6USP2ALDH1A1CYP3A4 | |
| SCHEMBL29088302 | 0.77 | TSHR (0.60) | TSHRCYP2D6USP2CYP2C19ALDH1A1 | |
| SCHEMBL2527190 | 0.77 | S1PR1 (0.46) | CYP2D6CYP2C19ALDH1A1OPRM1OPRL1 | |
| SCHEMBL25728595 | 0.77 | CYP2D6 (0.40) | TSHRCYP2D6USP2CYP2C19ALDH1A1 |
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 |