Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 2/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | PRKCB | P05771 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305810 | 0.93 | CYP2D6 (0.49) | CYP2D6NAMPTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8138744 | 0.87 | CYP2D6 (0.42) | CYP2D6NAMPTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9304627 | 0.87 | CYP2D6 (0.41) | CYP2D6ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9305128 | 0.87 | CYP2D6 (0.50) | CYP2D6ALDH1A1HTR1DPRKCGPRKCB | |
| Hydrochloric Acid SCHEMBL8142868 | 0.86 | CYP2D6 (0.40) | CYP2D6ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8137072 | 0.83 | ALDH1A1 (0.39) | NAMPTALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8138731 | 0.82 | NAMPT (0.39) | CYP2D6NAMPTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9303643 | 0.81 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4PRKCGPRKCB | |
| SCHEMBL9305096 | 0.81 | KDM4E (0.38) | NAMPTALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9303541 | 0.80 | CYP2D6 (0.47) | CYP2D6ALDH1A1CYP1A2CYP3A4PRKCG |
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 |
|---|---|---|---|---|---|---|---|
| US-5296491-A | Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-22 | — | — | US | claimed |