Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | MMP14 | P50281 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4065590 | 0.89 | HSD11B1 (0.40) | HSD11B1HDAC2HDAC1CYP2D6CYP3A4 | |
| SCHEMBL4064515 | 0.84 | KDM4E (0.34) | CYP2D6CYP3A4TSHRSMN1; SMN2KMT2A | |
| SCHEMBL4069856 | 0.81 | HSD11B1 (0.44) | HSD11B1HDAC2HDAC1CYP2D6CYP3A4 | |
| SCHEMBL4070868 | 0.79 | CYP3A4 (0.38) | CYP2D6CYP3A4TSHRHIF1ACYP2C19 | |
| SCHEMBL25907682 | 0.77 | HSD11B1 (0.37) | HSD11B1HDAC2HDAC1CYP2D6MMP1 | |
| SCHEMBL4065586 | 0.76 | HSD11B1 (0.46) | HSD11B1HDAC2HDAC1CYP2D6CYP3A4 | |
| SCHEMBL4065509 | 0.72 | TSHR (0.34) | CYP2D6CYP3A4TSHRHIF1AUSP2 | |
| SCHEMBL23588941 | 0.72 | USP2 (0.40) | HSD11B1HDAC2HDAC1CYP2D6CYP3A4 | |
| SCHEMBL21472213 | 0.71 | HSD11B1 (0.34) | HSD11B1HDAC2HDAC1CYP2D6MMP14 | |
| SCHEMBL25001376 | 0.71 | HSD11B1 (0.38) | HSD11B1HDAC2HDAC1CYP2D6CYP3A4 |
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 |