Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL818121 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL818491 | 0.84 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL819753 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL818635 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL817811 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL817863 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL818264 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL819727 | 0.72 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL10763461 | 0.71 | CYP3A4 (0.55) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL110764 | 0.70 | ALDH1A1 (0.81) | ALDH1A1CYP3A4CA2LMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110269927-A1 | COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-11-03 | — | — | US | disclosed |