Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL20645990 | 1.00 | CES2 (0.40) | CES2CES1CYP2C19SMN1; SMN2HPGD | |
| SCHEMBL20646071 | 0.82 | CYP2C19 (0.31) | CYP2C19HRH3 | |
| SCHEMBL28910434 | 0.80 | CES2 (0.44) | CES2CES1SMN1; SMN2ERN1 | |
| SCHEMBL20646080 | 0.79 | CES2 (0.44) | CES2CES1CYP2C19HPGDRAB9A | |
| SCHEMBL30955355 | 0.78 | CES2 (0.41) | CES2CES1CYP2C19 | |
| SCHEMBL20645828 | 0.78 | CES2 (0.41) | CES2CES1CYP2C19 | |
| SCHEMBL9650347 | 0.77 | CES2 (0.35) | CES2CES1CYP2C19 | |
| SCHEMBL28909660 | 0.74 | — | — | |
| SCHEMBL28910421 | 0.74 | CES2 (0.45) | CES2CES1ERN1 | |
| SCHEMBL1971815 | 0.73 | LMNA (0.30) | — |
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-3652178-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | H. Hoffnabb-La Roche Ag (CH) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019012063-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2019-01-17 | — | — | WO | disclosed |