Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10659215 | 0.99 | CYP2B6 (0.49) | CYP2B6NPSR1SLC6A2USP2CYP3A4 | |
| SCHEMBL10657745 | 0.85 | CYP2B6 (0.52) | CYP2B6SLC6A2CYP3A4SLC6A4HRH1 | |
| SCHEMBL10656522 | 0.85 | CYP2B6 (0.51) | CYP2B6SLC6A2CYP3A4SLC6A4HRH1 | |
| Hydrochloric Acid SCHEMBL10656167 | 0.84 | CYP2B6 (0.51) | CYP2B6SLC6A2CYP3A4SLC6A4HRH1 | |
| Hydrochloric Acid SCHEMBL10655169 | 0.83 | CYP2B6 (0.50) | CYP2B6SLC6A2CYP3A4SLC6A4HRH1 | |
| SCHEMBL10659859 | 0.83 | CYP2B6 (0.73) | CYP2B6SLC6A2SLC6A4HRH1SLC6A3 | |
| Hydrochloric Acid SCHEMBL10654769 | 0.82 | CYP2B6 (0.71) | CYP2B6SLC6A2SLC6A4HRH1SLC6A3 | |
| Hydrochloric Acid SCHEMBL11688982 | 0.78 | KDM4E (0.47) | CYP2B6SLC6A2USP2CYP3A4SLC6A4 | |
| SCHEMBL10663279 | 0.76 | CYP2B6 (0.73) | CYP2B6SLC6A2CYP3A4SLC6A4HRH1 | |
| Hydrochloric Acid SCHEMBL10656473 | 0.75 | CYP2B6 (0.71) | CYP2B6SLC6A2CYP3A4SLC6A4HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0167945-B1 | PHENYLETHYLAMINOPROPIOPHENONE DERIVATIVES, PROCESS FOR THEIR PREPARATION ET MEDICINES CONTAINING THEM | Troponwerke GmbH & Co. KG (DE) | 1988-04-13 | — | — | EP | claimed |