Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | ACHE | P22303 | 2/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.66 |
| ▸ | HTR2A | P28223 | 2/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 4/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9695219 | 0.90 | ACHE (0.70) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL10484897 | 0.83 | CYP2D6 (0.60) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL9721972 | 0.83 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL9858161 | 0.83 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL10932466 | 0.82 | CYP2D6 (1.00) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL9722081 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL3243955 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL9722034 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL9722021 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19ACHENR1I2 | |
| SCHEMBL29336388 | 0.81 | CYP1A2 (0.56) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0221781-B1 | BENZYLAMINE DERIVATIVES, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-05-02 | — | — | EP | disclosed |
| US-4822822-A | FUNGICIDES FOR PLANTS AND ANIMALS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1989-04-18 | — | — | US | disclosed |
| EP-0221781-A2 | Benzylamine derivatives, process for production thereof, and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1987-05-13 | — | — | EP | disclosed |