Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4241 | 1.00 | ESR1 (0.34) | ESR1ESR2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL6391397 | 0.97 | ESR1 (0.33) | ESR1ESR2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL2492802 | 0.95 | ESR1 (0.32) | ESR1ESR2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL9815122 | 0.93 | ESR1 (0.35) | ESR1ESR2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL28398399 | 0.89 | — | — | |
| SCHEMBL16458730 | 0.85 | MAPT (0.33) | ALDH1A1TSHRLMNAALOX12ACHE | |
| SCHEMBL14837511 | 0.82 | TAAR1 (0.34) | TAAR1 | |
| SCHEMBL12816750 | 0.81 | TP53 (0.39) | ALDH1A1MAPK1LMNA | |
| SCHEMBL12815755 | 0.80 | MEN1 (0.30) | ALDH1A1 | |
| SCHEMBL9812985 | 0.80 | NR1H2 (0.33) | NR1H2NR1H3TSHR |
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-105777864-A | Pentacyclic triterpene-peptide conjugate, and preparation method, medicinal composition and use thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-07-20 | — | — | CN | disclosed |