Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.54 |
| ▸ | ESR1 | P03372 | 7/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL863162 | 0.91 | KDM4E (0.44) | ESR2ESR1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL28197407 | 0.83 | CYP1A2 (0.40) | ESR2ESR1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL11621380 | 0.81 | ESR1 (0.52) | ESR2ESR1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL6629671 | 0.81 | KIF11 (0.41) | ALDH1A1TDP1KIF11LMNAKDM4E | |
| SCHEMBL811710 | 0.81 | KMT2A (0.45) | ALDH1A1KIF11CES2LMNATSHR | |
| SCHEMBL10839093 | 0.81 | MEN1 (0.49) | ALDH1A1KIF11CES2LMNATSHR | |
| SCHEMBL4020288 | 0.81 | KCNN4 (0.53) | CYP3A4ALDH1A1KIF11LMNA | |
| SCHEMBL5255832 | 0.78 | ESR1 (0.59) | ESR2ESR1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL7043480 | 0.78 | ALDH1A1 (0.42) | ESR2ESR1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL9480272 | 0.77 | ESR1 (0.62) | ESR2ESR1CYP3A4ALDH1A1TDP1 |
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-109856267-B | Method for simultaneously determining contents of multiple components in Chinese medicinal preparation based on LC-MS technology | 牡丹江友搏药业有限责任公司 | 2022-02-18 | — | — | CN | disclosed |
| US-20140023721-A1 | METHOD OF EXTRACTING ACTIVE MOLECULES FROM NATURAL RESINS AND USE THEREOF | RODE PHARMA S.R.L. (IT) | 2014-01-23 | — | — | US | disclosed |