Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.60 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.60 |
| ▸ | CHRNG | P07510 | 1/20 | 0.60 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.60 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.60 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HRH1 | P35367 | 1/20 | 0.60 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.60 |
| ▸ | CHRND | Q07001 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
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 SCHEMBL10659340 | 0.99 | CYP2B6 (0.64) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL10663279 | 0.90 | CYP2B6 (0.73) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| Hydrochloric Acid SCHEMBL10656473 | 0.89 | CYP2B6 (0.71) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL10659859 | 0.87 | CYP2B6 (0.73) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| Hydrochloric Acid SCHEMBL10654769 | 0.86 | CYP2B6 (0.71) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL13001623 | 0.81 | CYP2B6 (0.74) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL15478523 | 0.80 | CYP2B6 (0.80) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL29486913 | 0.80 | CYP2B6 (1.00) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2955633 | 0.80 | CYP2B6 (1.00) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2955630 | 0.80 | CYP2B6 (1.00) | CYP2B6SLC6A2SLC6A3CHRNA1CHRNG |
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 |