Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.63 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.62 |
| ▸ | BLM | P54132 | 2/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9054803 | 0.89 | SIGMAR1 (0.52) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| Hydrochloric Acid SCHEMBL6574217 | 0.85 | PMP22 (0.59) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL6575217 | 0.85 | CYP1A2 (0.67) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| Hydrochloric Acid SCHEMBL9054039 | 0.84 | BLM (0.68) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL9054003 | 0.84 | SIGMAR1 (0.47) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL9053806 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL6573083 | 0.80 | KCNH2 (0.76) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL7430428 | 0.80 | CYP1A2 (1.00) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL9269023 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL8789951 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP1A2CYP2D6PMP22BLM |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996000715-A1 | NEW [2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-(2-PHENOXY-ETHYL)-AMINES, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | ARZNEIMITTELWERK DRESDEN GMGH (DE) | 1996-01-11 | — | — | WO | disclosed |