Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10594731 | 0.98 | CYP2D6 (0.48) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10503082 | 0.91 | CYP2D6 (0.61) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10591715 | 0.90 | CYP2D6 (0.38) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10505739 | 0.89 | ADRB1 (0.44) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10506715 | 0.88 | CYP2D6 (0.61) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10594583 | 0.88 | CYP2D6 (0.37) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10504801 | 0.87 | SLC6A2 (0.51) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10504268 | 0.86 | ADRB2 (0.44) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10503937 | 0.85 | HTR1A (0.56) | CYP2D6ADRB2CYP1A2CASRKDM4E | |
| SCHEMBL10503050 | 0.84 | ADRB2 (0.43) | CYP2D6ADRB2CYP1A2CYP3A4CYP2C19 |
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 |