Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | HTR2C | P28335 | 3/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28311407 | 0.92 | TSHR (0.72) | CYP2D6CYP2C19CYP1A2L3MBTL1TSHR | |
| SCHEMBL11539872 | 0.86 | L3MBTL1 (0.91) | CYP2D6CYP2C19CYP1A2L3MBTL1TSHR | |
| SCHEMBL11538265 | 0.84 | CYP2D6 (0.88) | CYP2D6CYP2C19CYP1A2L3MBTL1TSHR | |
| SCHEMBL11543769 | 0.83 | CYP2D6 (0.70) | CYP2D6CYP2C19CYP1A2L3MBTL1TSHR | |
| SCHEMBL13621742 | 0.83 | MRE11 (0.49) | CYP2D6CYP2C19CYP1A2L3MBTL1ALDH1A1 | |
| SCHEMBL3435110 | 0.82 | KDM4E (0.54) | CYP2D6CYP2C19CYP1A2L3MBTL1TSHR | |
| SCHEMBL11827244 | 0.79 | TDP1 (0.70) | HTR2ATDP1MEN1KMT2AHRH3 | |
| Hydrochloric Acid SCHEMBL2235589 | 0.79 | SIGMAR1 (0.53) | CYP2D6CYP2C19CYP1A2L3MBTL1TSHR | |
| SCHEMBL5901729 | 0.78 | MEN1 (0.61) | CYP2D6CYP2C19CYP1A2L3MBTL1TSHR | |
| SCHEMBL9097701 | 0.78 | LTA4H (0.66) | ALDH1A1SMN1; SMN2HTR2ASIGMAR1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4170653-A | Antidepressant naphthyloxy piperidino and pyrrolidino propanol ethers | Ayerst McKenna and Harrison Limited (CA) | 1979-10-09 | — | — | US | disclosed |
| US-4060613-A | ANTIDEPRESSANT | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-11-29 | — | — | US | disclosed |