Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | CHRNG | P07510 | 1/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.44 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CHRND | Q07001 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7696707 | 1.00 | PNMT (0.50) | PNMTSLC6A2CHRNA1CHRNGITGA5 | |
| SCHEMBL7692070 | 1.00 | PNMT (0.50) | PNMTSLC6A2CHRNA1CHRNGITGA5 | |
| Hydrochloric Acid SCHEMBL7693434 | 0.98 | PNMT (0.49) | PNMTSLC6A2CHRNA1CHRNGITGA5 | |
| SCHEMBL7745210 | 0.81 | MME (0.44) | SLC6A2SLC6A4HRH1CHRNA4SLC6A3 | |
| SCHEMBL7745276 | 0.80 | MAPK1 (0.53) | CYP2C19ALDH1A1TAAR1 | |
| SCHEMBL10245188 | 0.80 | MAPK1 (0.53) | CYP2C19ALDH1A1TAAR1 | |
| SCHEMBL8254401 | 0.80 | MAPK1 (0.53) | CYP2C19ALDH1A1TAAR1 | |
| SCHEMBL7704772 | 0.80 | PNMT (0.59) | PNMTSLC6A2CHRNA1CHRNGITGA5 | |
| SCHEMBL1228262 | 0.80 | PNMT (0.59) | PNMTSLC6A2CHRNA1CHRNGITGA5 | |
| Hydrochloric Acid SCHEMBL7714557 | 0.78 | PNMT (0.57) | PNMTSLC6A2CHRNA1CHRNGITGA5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1259243-A2 | BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE | SEPRACOR, INC. (US) | 2002-11-27 | — | — | EP | claimed |
| WO-2001062257-A2 | BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE | SEPRACOR INC. (US) | 2001-08-30 | — | — | WO | claimed |
| EP-3538110-A1 | METHODS FOR DRUG DISCOVERY USING STEM CELL-DERIVED SCHWANN CELLS | Memorial Sloan-Kettering Cancer Center (US) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018090006-A1 | METHODS FOR DRUG DISCOVERY USING STEM CELL-DERIVED SCHWANN CELLS | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2018-05-17 | — | — | WO | disclosed |