Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | HTR2C | P28335 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | HRH1 | P35367 | 2/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.57 |
| ▸ | DRD3 | P35462 | 2/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.57 |
| ▸ | HTR2B | P41595 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5280197 | 1.00 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| SCHEMBL4942842 | 0.91 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| Oxalic Acid SCHEMBL5033726 | 0.89 | CYP1A2 (0.57) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| SCHEMBL27661428 | 0.87 | CYP1A2 (0.52) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| SCHEMBL4377909 | 0.86 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| Oxalic Acid SCHEMBL5287834 | 0.86 | SLC6A9 (0.53) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| SCHEMBL21051927 | 0.85 | SLC6A9 (0.51) | CYP2D6SLC6A9ALDH1A1MAPTCYP2C9 | |
| SCHEMBL3894545 | 0.84 | CYP2D6 (0.64) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| SCHEMBL8197707 | 0.84 | CYP2D6 (0.64) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 | |
| SCHEMBL27661331 | 0.84 | CYP1A2 (0.49) | CYP2D6CYP1A2CYP3A4SLC6A2CHRM1 |
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-0052492-A1 | 3-Aryloxy-3-phenylpropylamines | ELI LILLY AND COMPANY (US) | 1982-05-26 | — | — | EP | disclosed |