Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL18973872 | 0.87 | CYP2D6 (0.42) | CYP2D6CYP1A2CYP2C19ACE | |
| SCHEMBL25636455 | 0.81 | ACE (0.43) | CYP2D6CYP1A2CYP2C19ACE | |
| SCHEMBL22856969 | 0.79 | ACE (0.47) | ACEIDO1ALDH1A1LMNAPPARG | |
| SCHEMBL3674399 | 0.78 | CYP1A2 (0.63) | CYP2D6CYP1A2CYP2C19CYP2C9CRHBP | |
| SCHEMBL11714044 | 0.78 | CYP2D6 (0.79) | CYP2D6CYP1A2CYP2C19ACECYP2C9 | |
| SCHEMBL27839576 | 0.78 | TAAR1 (0.45) | CYP2D6CYP1A2CYP2C19SLC6A2 | |
| SCHEMBL8257896 | 0.78 | ACE (0.48) | ACEIDO1ALDH1A1RAB9ANPC1 | |
| SCHEMBL9906029 | 0.77 | ACE (0.46) | CYP2D6CYP1A2CYP2C19ACECYP2C9 | |
| SCHEMBL7011163 | 0.77 | ACE (0.61) | CYP2D6CYP1A2CYP2C19ACEPPARG | |
| SCHEMBL18313729 | 0.76 | TSHR (0.38) | CYP2D6CYP1A2CYP2C19ACEIDO1 |
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-6639109-B1 | Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid | NIHON NOHYAKU CO., LTD. (JP) | 2003-10-28 | — | — | US | disclosed |
| EP-1216988-A1 | THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Nihon Nohyaku Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |