Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 6/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30177298 | 0.82 | CYP1A2 (0.42) | CYP2C19USP2ALDH1A1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3233408 | 0.82 | CPB2 (0.34) | CPB2HSD11B1 | |
| Cyclohexane SCHEMBL8076855 | 0.81 | CYP2C19 (0.40) | HSD11B1CYP2C19USP2ALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL28608906 | 0.81 | ALDH1A1 (0.38) | CPB2ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL27779029 | 0.78 | ALDH1A1 (0.36) | CPB2ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL28157949 | 0.76 | CPB2 (0.36) | CPB2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL347581 | 0.76 | CYP1A2 (0.41) | CYP2C19USP2ALDH1A1CYP1A2TSHR | |
| Cyclohexane SCHEMBL19086989 | 0.76 | FFAR3 (0.41) | HSD11B1CYP2C19USP2ALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL30296940 | 0.75 | HSD17B10 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3558294 | 0.75 | CPB2 (0.38) | CPB2CYP2C19USP2ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |