Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6579229 | 0.76 | PPARG (0.50) | PPARGPPARAPPARDHDAC1HDAC6 | |
| SCHEMBL22802171 | 0.75 | CNR1 (0.48) | ALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL28292748 | 0.74 | SRR (0.43) | ALDH1A1 | |
| SCHEMBL9452688 | 0.73 | PPARG (0.52) | PPARGPPARAPPARDCYP3A4CYP2D6 | |
| SCHEMBL28878522 | 0.72 | ATM (0.50) | ATMALDH1A1CYP2C9CA12CA2 | |
| SCHEMBL7030654 | 0.72 | ALDH1A1 (0.55) | ATMALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31299894 | 0.72 | ALDH1A1 (0.55) | ATMALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5151597 | 0.72 | ATM (0.50) | ATMALDH1A1CYP2C9CA12CA2 | |
| SCHEMBL7030656 | 0.72 | ALDH1A1 (0.55) | ATMALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4157751 | 0.72 | ATM (0.47) | ATMALDH1A1CYP2C9CA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106008665-B | Compound with tumor proliferation inhibition function and preparation method and application thereof | 北京大学 | 2021-03-16 | — | — | CN | disclosed |