Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | ADH1C | P00326 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL11874061 | 0.97 | ADH1A (0.33) | ADH1AALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10170019 | 0.85 | ADH1A (0.39) | ADH1AALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10170018 | 0.80 | SIGMAR1 (0.38) | ADH1AALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6567468 | 0.78 | CYP2D6 (0.38) | ADH1AALDH1A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10170022 | 0.78 | SIGMAR1 (0.41) | ADH1AALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10171077 | 0.78 | SIGMAR1 (0.41) | ADH1AALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10171075 | 0.78 | SIGMAR1 (0.41) | ADH1AALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11882851 | 0.77 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2ADRA2ALMNA | |
| SCHEMBL24158306 | 0.76 | ADH1A (0.54) | ADH1AALDH1A1MEN1KMT2AADH1C | |
| SCHEMBL2067548 | 0.76 | ADH1A (0.54) | ADH1AALDH1A1MEN1KMT2AADH1C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235730-B1 | ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT | JAPAN TOBACCO, INC. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-0970954-A1 | 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME | JAPAN TOBACCO INC. (JP) | 2000-01-12 | — | — | EP | disclosed |
| US-3960886-A | Substituted N-arylanilines | STERLING DRUG INC. (US) | 1976-06-01 | — | — | US | disclosed |