Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | DGKA | P23743 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | PAM | P19021 | 2/20 | 0.37 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.37 |
| ▸ | LPAR4 | Q99677 | 1/20 | 0.37 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.37 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29190427 | 0.86 | ZDHHC7 (0.56) | ZDHHC7CYP3A4TSHRATMTDP1 | |
| SCHEMBL29190375 | 0.84 | ZDHHC7 (0.64) | ZDHHC7CYP3A4TSHRATMTDP1 | |
| SCHEMBL29190369 | 0.84 | ZDHHC7 (0.64) | ZDHHC7CYP3A4TSHRATMTDP1 | |
| SCHEMBL30791312 | 0.80 | ZDHHC7 (0.50) | ZDHHC7CYP3A4TSHRATMTDP1 | |
| SCHEMBL2957918 | 0.79 | TDP1 (0.44) | CYP3A4TSHRATMTDP1DGKA | |
| SCHEMBL385364 | 0.78 | MAPT (0.44) | CYP3A4TSHRATMTDP1DGKA | |
| SCHEMBL29190426 | 0.77 | ZDHHC7 (0.62) | ZDHHC7CYP3A4TSHRATMTDP1 | |
| SCHEMBL7704462 | 0.76 | TSHR (0.42) | CYP3A4TSHRATMTDP1DGKA | |
| SCHEMBL29190381 | 0.76 | TSHR (0.42) | CYP3A4TSHRATMTDP1DGKA | |
| SCHEMBL2116775 | 0.75 | LMNA (0.53) | CYP3A4TSHRATMTDP1DGKA |
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-103910740-B | Tetrandrine derivant and preparation method thereof and the application in prepared by antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | claimed |
| CN-103910740-B | Tetrandrine derivant and preparation method thereof and the application in prepared by antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | disclosed |