Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.66 |
| ▸ | TSHR | P16473 | 6/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | NPY2R | P49146 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28940104 | 0.94 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| SCHEMBL4628579 | 0.87 | TSHR (0.56) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| Hexane SCHEMBL27462589 | 0.86 | ALDH1A1 (0.83) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| SCHEMBL11582846 | 0.86 | ALDH1A1 (0.77) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| SCHEMBL27557946 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| SCHEMBL1791133 | 0.84 | TSHR (0.65) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| SCHEMBL169573 | 0.83 | TSHR (0.75) | ALDH1A1TSHRCYP3A4TDP1L3MBTL1 | |
| SCHEMBL28285673 | 0.83 | TSHR (0.54) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| SCHEMBL11996440 | 0.82 | TSHR (0.78) | ALDH1A1TSHRCYP3A4CA2TDP1 | |
| Dibutyl Phthalate SCHEMBL3674111 | 0.82 | TSHR (0.78) | ALDH1A1TSHRCYP3A4CA2TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104829756-B | A kind of solid catalyst component for olefine polymerization and its preparation method and application | 中国科学院化学研究所 | 2018-05-15 | — | — | CN | disclosed |
| CN-104829756-A | Solid catalyst component for olefin polymerization, and preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2015-08-12 | — | — | CN | disclosed |