Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 3/20 | 0.47 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | PRKACG | P22612 | 1/20 | 0.46 |
| ▸ | PRKACB | P22694 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30662472 | 1.00 | LCK (0.47) | LCKPRKACAPRKACGPRKACBCYP19A1 | |
| SCHEMBL30932112 | 1.00 | LCK (0.47) | LCKPRKACAPRKACGPRKACBCYP19A1 | |
| SCHEMBL29199280 | 1.00 | LCK (0.47) | LCKPRKACAPRKACGPRKACBCYP19A1 | |
| SCHEMBL13624923 | 0.85 | DHODH (0.52) | LCKPRKACAPRKACGPRKACBCYP19A1 | |
| SCHEMBL3332531 | 0.82 | HTR2C (0.43) | CYP19A1ESR1ESR2ALDH1A1TP53 | |
| SCHEMBL5810326 | 0.80 | LCK (0.56) | LCKPRKACAPRKACGPRKACBESR1 | |
| SCHEMBL939989 | 0.77 | APAF1 (0.54) | ALDH1A1TP53CYP3A4SMN1; SMN2ELANE | |
| SCHEMBL23271650 | 0.74 | LCK (0.51) | LCKPRKACAPRKACGPRKACBESR1 | |
| SCHEMBL30003082 | 0.74 | LCK (0.51) | LCKPRKACAPRKACGPRKACBESR1 | |
| SCHEMBL14439382 | 0.74 | LCK (0.46) | LCKPRKACAPRKACGPRKACBESR1 |
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-117105894-A | Preparation method and application of cryptotanshinone compound | 中国人民解放军海军军医大学 | 2023-11-24 | — | — | CN | disclosed |