Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | GSK3B | P49841 | 11/20 | 0.46 |
| ▸ | PRKCG | P05129 | 10/20 | 0.46 |
| ▸ | PRKCB | P05771 | 10/20 | 0.46 |
| ▸ | PRKCA | P17252 | 10/20 | 0.46 |
| ▸ | PRKCD | Q05655 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.46 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.46 |
| ▸ | TDP2 | O95551 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303501 | 0.93 | CYP2D6 (0.45) | CYP2D6GSK3BPRKCGPRKCBPRKCA | |
| SCHEMBL9304696 | 0.86 | CYP2D6 (0.52) | CYP2D6GSK3BPRKCGPRKCBPRKCA | |
| SCHEMBL9304250 | 0.85 | TDP1 (0.41) | TDP1KDM4E | |
| SCHEMBL9303584 | 0.84 | CYP2D6 (0.57) | CYP2D6GSK3BPRKCGPRKCBPRKCA | |
| Hydrochloric Acid SCHEMBL8137553 | 0.84 | CYP2D6 (0.50) | CYP2D6GSK3BPRKCGPRKCBPRKCA | |
| Hydrochloric Acid SCHEMBL8137559 | 0.84 | CYP2D6 (0.50) | CYP2D6GSK3BPRKCGPRKCBPRKCA | |
| Hydrochloric Acid SCHEMBL8135773 | 0.83 | CYP2D6 (0.56) | CYP2D6GSK3BPRKCGPRKCBPRKCA | |
| SCHEMBL8137068 | 0.82 | CYP2D6 (0.49) | CYP2D6GSK3BPRKCGPRKCBPRKCA | |
| SCHEMBL8134219 | 0.82 | CDC7 (0.41) | TDP1 | |
| SCHEMBL9303643 | 0.79 | CYP2D6 (0.45) | CYP2D6GSK3BPRKCGPRKCBPRKCA |
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 |