Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8029850 | 0.84 | CYP2C19 (0.42) | CYP2C19TSHRTDP1 | |
| SCHEMBL12855262 | 0.78 | CYP2C19 (0.31) | CYP2C19 | |
| SCHEMBL14175970 | 0.76 | — | — | |
| SCHEMBL13375673 | 0.76 | — | — | |
| SCHEMBL12130445 | 0.74 | — | — | |
| SCHEMBL12799904 | 0.72 | — | — | |
| SCHEMBL18191 | 0.67 | CYP2C19 (0.42) | CYP2C19TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL8858515 | 0.64 | CYP2C19 (0.40) | CYP2C19TSHRTDP1 | |
| SCHEMBL90415 | 0.64 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL25265357 | 0.62 | ALDH1A1 (0.45) | CYP2C19 |
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-1077923-B1 | AN IMPROVED SYNTHESIS AND PURIFICATION OF (R*,R*)-2- (DIMETHYLAMINO) METHYL]-1-( 3-METHOXYPHENYL) CYCLOHEXANOL HYDROCHLORIDE | MALLINCKRODT INC (US) | 2004-01-02 | — | — | EP | disclosed |
| US-6399829-B1 | SALT FORMATION USING HYDROGEN CHLORIDE IN PRESENCE OT TOLUENE; CRYSTALLIZATION IN NITRILE SOLVENT | MALLINCKRODT INC. | 2002-06-04 | — | — | US | disclosed |