Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | ESRRG | P62508 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18575579 | 0.89 | TAAR1 (0.36) | SLC6A2TSHRALDH1A1TAAR1 | |
| SCHEMBL7837799 | 0.82 | ESR1 (0.56) | ESR1ESR2CYP3A4SLC6A2LMNA | |
| SCHEMBL9838398 | 0.79 | ESR1 (0.48) | ESR1ESR2CYP3A4SLC6A2LMNA | |
| SCHEMBL3650440 | 0.79 | KIF11 (0.46) | SLC6A2LMNATSHRSLC6A4SLC6A3 | |
| SCHEMBL11431197 | 0.78 | TAAR1 (0.52) | CYP3A4SLC6A2CYP2C19TAAR1 | |
| SCHEMBL10656617 | 0.78 | ESR1 (0.58) | ESR1ESR2CYP3A4SLC6A2LMNA | |
| SCHEMBL6674574 | 0.76 | ESR1 (0.48) | ESR1ESR2CYP3A4SLC6A2LMNA | |
| Ethylenediamine SCHEMBL28088084 | 0.76 | LMNA (0.76) | ESR1ESR2CYP3A4SLC6A2LMNA | |
| Bisphenol A SCHEMBL29127685 | 0.76 | ESR1 (0.76) | ESR1ESR2CYP3A4SLC6A2LMNA | |
| SCHEMBL5329248 | 0.75 | ESR1 (0.64) | ESR1ESR2CYP3A4SLC6A2LMNA |
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-110387035-B | Demulsifier, preparation method thereof and application thereof in demulsification of thick oil containing asphaltene | 中国石油化工股份有限公司 | 2022-01-04 | — | — | CN | disclosed |