Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7571250 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7579055 | 0.88 | G6PC1 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7579060 | 0.88 | G6PC1 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7581838 | 0.88 | MAPT (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7581846 | 0.88 | MAPT (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7578981 | 0.84 | CHRM5 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7573374 | 0.84 | CHRM5 (0.41) | CYP1A2CYP2C9CYP2C19LMNAMEN1 | |
| SCHEMBL7578987 | 0.84 | CHRM5 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL7579606 | 0.84 | TRPA1 (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL7573372 | 0.84 | CHRM5 (0.41) | CYP1A2CYP2C9CYP2C19LMNAMEN1 |
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 |