Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 8/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AOC1 | P19801 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7572426 | 0.77 | CYP2C19 (0.47) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL25726911 | 0.75 | CYP2C19 (0.46) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL25726913 | 0.75 | CYP2C19 (0.50) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL25726915 | 0.75 | CYP2A6 (0.50) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL24837837 | 0.74 | CYP2A6 (0.45) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL5174617 | 0.74 | CYP2A6 (0.49) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL24838713 | 0.74 | CYP2A6 (0.45) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL8144729 | 0.71 | CYP2C19 (0.55) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL31244016 | 0.67 | CYP2A6 (0.42) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 | |
| SCHEMBL23781592 | 0.66 | CYP2A6 (0.96) | CYP2A6CYP2C19CYP2E1CYP2B6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5756769-A | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |