Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL9146956 | 0.83 | — | — | |
| SCHEMBL11547378 | 0.78 | TDP1 (0.40) | CYP3A4TDP1CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL5985695 | 0.78 | TDP1 (0.40) | CYP3A4TDP1CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL1207769 | 0.72 | POLB (0.38) | CYP3A4TDP1CYP2C9CYP2C19CHRM2 | |
| SCHEMBL11683340 | 0.72 | CYP3A4 (0.32) | CYP3A4TDP1CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL13104011 | 0.72 | CYP3A4 (0.34) | CYP3A4TDP1CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL20837225 | 0.71 | — | — | |
| SCHEMBL8805010 | 0.71 | THRB (0.45) | CYP3A4TDP1CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL19996621 | 0.71 | THRB (0.45) | CYP3A4TDP1CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL30612403 | 0.71 | MTNR1A (0.53) | KMT2ACHRM4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1071736-C | A process for the preparation of carboxylic esters derived from allylic alcohols | FIRMENICH & CIE (CH) | 2001-09-26 | — | — | CN | disclosed |
| EP-0685450-B1 | Process for the preparation of esters of carboxylic acids derived from allylic alcohol | FIRMENICH & CIE (CH) | 1999-07-14 | — | — | EP | disclosed |
| US-5554786-A | Process for the preparation of carboxylic esters defined from allylic alcohols | FIRMENICH S.A. (CH) | 1996-09-10 | — | — | US | disclosed |
| CN-1113226-A | A process for the preparation of carboxylic esters derived from allylic alcohols | FIRMENICH & CIE (CH) | 1995-12-13 | — | — | CN | disclosed |
| EP-0685450-A1 | Process for the preparation of esters of carboxylic acids derived from allylic alcohol | FIRMENICH SA (CH) | 1995-12-06 | — | — | EP | disclosed |