Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5169953 | 0.89 | NOTUM (0.46) | CES2CES1EPHX2NOTUMSCN8A | |
| SCHEMBL3873475 | 0.85 | CES2 (0.38) | CES2CES1EPHX2NOTUMSCN8A | |
| SCHEMBL4423620 | 0.83 | CES2 (0.42) | CES2CES1NOTUMBCHE | |
| SCHEMBL17186806 | 0.74 | PPARA (0.47) | CES2CES1ALDH1A1LMNA | |
| SCHEMBL15737124 | 0.73 | CES2 (0.32) | CES2CES1EPHX2FFAR1 | |
| SCHEMBL10180776 | 0.73 | CES2 (0.41) | CES2CES1EPHX2SCN8ASCN10A | |
| SCHEMBL15734025 | 0.72 | CES2 (0.33) | CES2CES1EPHX2SCN8ASCN10A | |
| SCHEMBL24252041 | 0.71 | HTR2C (0.34) | CES2CES1HCRTR1HCRTR2PDE2A | |
| SCHEMBL10179556 | 0.70 | CES2 (0.38) | CES2CES1EPHX2SCN8ASCN10A | |
| SCHEMBL3827377 | 0.69 | CES2 (0.45) | CES2CES1EPHX2SCN8ASCN10A |
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-0272671-B1 | Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors | SANDOZ LTD (CH) | 1994-03-16 | — | — | EP | disclosed |
| EP-0272671-A2 | Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors | SANDOZ LTD. (CH) | 1988-06-29 | — | — | EP | disclosed |