Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 7/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 7/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL31244303 | 0.84 | CYP2C19 (0.46) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL10591503 | 0.76 | TDP1 (0.37) | TDP1CYP2C9POLBMEN1CHRM2 | |
| SCHEMBL31243933 | 0.75 | CYP2C19 (0.39) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL31243980 | 0.75 | CYP2C19 (0.39) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL7581892 | 0.75 | CYP2C19 (0.39) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL7571827 | 0.75 | CYP2C19 (0.39) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL7571815 | 0.75 | CYP2C19 (0.39) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL17285756 | 0.73 | — | — | |
| SCHEMBL31243904 | 0.72 | CYP3A4 (0.36) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL31244216 | 0.71 | CYP3A4 (0.35) | CYP2C19CYP2C9CYP1A2CYP3A4THPO |
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 5 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 |
| EP-0281018-A1 | Heterocyclyl-2-propyn-1-amines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-09-07 | — | — | EP | disclosed |
| US-4743617-A | HYPOTENSIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-05-10 | — | — | US | disclosed |