Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10297586 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2A6POLB | |
| SCHEMBL10434606 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2A6POLB | |
| SCHEMBL7242681 | 0.76 | MEN1 (0.42) | ALDH1A1CYP3A4POLBCYP2C19 | |
| SCHEMBL7238679 | 0.76 | MAOA (0.48) | ALDH1A1CYP2A6L3MBTL1KDM4ESLC6A2 | |
| Acetic Acid SCHEMBL28005380 | 0.71 | GAA (0.45) | ALDH1A1CYP1A2CYP3A4POLBGAA | |
| SCHEMBL16724698 | 0.71 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2A6POLB | |
| SCHEMBL272037 | 0.69 | — | — | |
| SCHEMBL10459077 | 0.69 | — | — | |
| SCHEMBL30668848 | 0.69 | — | — | |
| SCHEMBL2829221 | 0.68 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2A6GAA |
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 |