Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 SCHEMBL8142868 | 0.99 | CYP2D6 (0.40) | CYP2D6EGFRHTR1DALDH1A1NPSR1 | |
| SCHEMBL9303541 | 0.93 | CYP2D6 (0.47) | CYP2D6EGFRALDH1A1HTR6KDM4E | |
| Hydrochloric Acid SCHEMBL9263878 | 0.91 | CYP2D6 (0.46) | CYP2D6EGFRALDH1A1HTR6KDM4E | |
| Hydrochloric Acid SCHEMBL8127101 | 0.91 | CYP2D6 (0.46) | CYP2D6EGFRALDH1A1HTR6KDM4E | |
| SCHEMBL14423907 | 0.89 | CYP2D6 (0.34) | CYP2D6EGFRALDH1A1NPSR1MEN1 | |
| SCHEMBL9304434 | 0.87 | CYP2D6 (0.42) | CYP2D6EGFRHTR1DALDH1A1NPSR1 | |
| SCHEMBL9305128 | 0.87 | CYP2D6 (0.50) | CYP2D6HTR1DALDH1A1HTR6KMT2A | |
| SCHEMBL9305917 | 0.85 | HRH1 (0.38) | ALDH1A1NPSR1MEN1KMT2AKDM4E | |
| SCHEMBL5359047 | 0.84 | KDM4E (0.38) | CYP2D6ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL9303549 | 0.83 | KDM4E (0.39) | ALDH1A1MEN1KMT2AKDM4EGAA |
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 |