Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.37 |
| ▸ | CASR | P41180 | 7/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10591715 | 0.98 | CYP2D6 (0.38) | CYP2D6CASRADRB2CYP1A2CYP3A4 | |
| SCHEMBL10594731 | 0.90 | CYP2D6 (0.48) | CYP2D6CASRADRB2CYP1A2CYP3A4 | |
| SCHEMBL10595607 | 0.90 | ADRB1 (0.38) | ADRB2CYP1A2MEN1KMT2A | |
| SCHEMBL10592256 | 0.88 | CYP2D6 (0.49) | CYP2D6CASRADRB2CYP1A2CYP3A4 | |
| SCHEMBL10503386 | 0.88 | ADRB1 (0.39) | ADRB2CYP1A2MEN1KMT2A | |
| SCHEMBL10593255 | 0.86 | L3MBTL1 (0.40) | CYP2D6CASRADRB2CYP1A2L3MBTL1 | |
| SCHEMBL10593609 | 0.84 | L3MBTL1 (0.40) | CYP2D6CASRADRB2CYP1A2CYP3A4 | |
| SCHEMBL10504578 | 0.81 | L3MBTL1 (0.41) | CYP2D6ADRB2CYP1A2CYP3A4L3MBTL1 | |
| SCHEMBL10506715 | 0.81 | CYP2D6 (0.61) | CYP2D6CASRADRB2CYP1A2CYP3A4 | |
| SCHEMBL10504063 | 0.80 | HTR1A (0.55) | CYP2D6CASRADRB2CYP1A2SLC6A2 |
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-4863949-A | CARDIOVASCULAR DISORDER TREATMENT | BOEHRINGER MANNHEIM GMBH (DE) | 1989-09-05 | — | — | US | disclosed |
| EP-0200915-A1 | Aminopropanol derivatives, process for their preparation, their use and medicines containing them | Roche Diagnostics GmbH (DE) | 1986-11-12 | — | — | EP | disclosed |