Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6445467 | 0.82 | HTR1B (0.47) | HTR1BCYP1A2CYP2D6CYP2C19HTR2A | |
| SCHEMBL11493052 | 0.82 | CTNNB1 (0.44) | CYP1A2CYP2D6CYP2C19CTNNB1 | |
| SCHEMBL10645948 | 0.81 | KDM4E (0.45) | CYP1A2CYP2D6CYP2C19CTNNB1 | |
| SCHEMBL9493810 | 0.81 | KDM4E (0.45) | CYP1A2CYP2D6CYP2C19CTNNB1 | |
| SCHEMBL6617420 | 0.81 | KDM4E (0.45) | CYP1A2CYP2D6CYP2C19CTNNB1 | |
| SCHEMBL9844481 | 0.81 | KDM4E (0.45) | CYP1A2CYP2D6CYP2C19CTNNB1 | |
| SCHEMBL13850014 | 0.80 | CTNNB1 (0.47) | CYP1A2CYP2D6CYP2C19CTNNB1 | |
| SCHEMBL14402412 | 0.80 | CTNNB1 (0.47) | CYP1A2CYP2D6CYP2C19CTNNB1 | |
| SCHEMBL7302653 | 0.79 | HTR1B (0.43) | HTR1BCYP1A2CYP2D6CYP2C19HTR2A | |
| SCHEMBL6448451 | 0.79 | HTR1B (0.43) | HTR1BCYP1A2CYP2D6CYP2C19HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0521827-A1 | Pharmacological active hydrazin derivatives and process for their preparation | CIBA-GEIGY AG (CH) | 1993-01-07 | — | — | EP | disclosed |