Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | PRKCG | P05129 | 4/20 | 0.39 |
| ▸ | PRKCB | P05771 | 4/20 | 0.39 |
| ▸ | PRKCA | P17252 | 4/20 | 0.39 |
| ▸ | GSK3B | P49841 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | MAOB | P27338 | 4/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | BUB1 | O43683 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8134106 | 0.98 | CYP2D6 (0.44) | CYP2D6PRKCGPRKCBPRKCAGSK3B | |
| SCHEMBL9304696 | 0.93 | CYP2D6 (0.52) | CYP2D6PRKCGPRKCBPRKCAGSK3B | |
| Hydrochloric Acid SCHEMBL8137553 | 0.91 | CYP2D6 (0.50) | CYP2D6PRKCGPRKCBPRKCAGSK3B | |
| Hydrochloric Acid SCHEMBL8137559 | 0.91 | CYP2D6 (0.50) | CYP2D6PRKCGPRKCBPRKCAGSK3B | |
| SCHEMBL9303501 | 0.86 | CYP2D6 (0.45) | CYP2D6PRKCGPRKCBPRKCAGSK3B | |
| SCHEMBL9305230 | 0.84 | MAOA (0.36) | CYP2D6TDP1MAOAMAOBACHE | |
| SCHEMBL9305128 | 0.84 | CYP2D6 (0.50) | CYP2D6PRKCGPRKCBPRKCAGSK3B | |
| SCHEMBL9305300 | 0.83 | MAOA (0.34) | CYP2D6MAOAMAOBACHEBUB1 | |
| Hydrochloric Acid SCHEMBL8138778 | 0.83 | TDP1 (0.36) | CYP2D6TDP1MAOAMAOBACHE | |
| SCHEMBL9302920 | 0.82 | TDP1 (0.41) | CYP2D6TDP1MAOAMAOBACHE |
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 |