Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 4/20 | 0.45 |
| ▸ | CNR2 | P34972 | 4/20 | 0.45 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27663243 | 1.00 | ESR1 (0.57) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| SCHEMBL3684822 | 0.85 | ESR1 (0.67) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| Water SCHEMBL28155993 | 0.83 | ESR1 (0.64) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| SCHEMBL29091651 | 0.81 | HDAC8 (0.48) | ESR1ESR2ALDH1A1MEN1KMT2A | |
| SCHEMBL25327248 | 0.81 | ESR1 (0.63) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| Phenol SCHEMBL4313239 | 0.79 | ESR1 (0.80) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| SCHEMBL5845856 | 0.79 | ALDH1A1 (0.42) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| SCHEMBL21869845 | 0.79 | ESR1 (0.59) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| SCHEMBL5699629 | 0.78 | ALDH1A1 (0.41) | ESR1ESR2ALDH1A1CYP3A4CNR1 | |
| SCHEMBL6854492 | 0.78 | ESR1 (0.61) | ESR1ESR2ALDH1A1CYP3A4CNR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117363003-A | Halogen-free flame-retardant polyamide composite material and preparation method and application thereof | 金发科技股份有限公司 | 2024-01-09 | — | — | CN | disclosed |
| CN-116917373-A | Polyester composition comprising tetramethylcyclobutanediol and 1, 4-cyclohexanedimethanol with improved catalyst system comprising lithium and gallium | 伊士曼化工公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-116897176-A | Polyester composition comprising tetramethylcyclobutanediol and 1, 4-cyclohexanedimethanol with improved catalyst system comprising titanium and zinc | 伊士曼化工公司 | 2023-10-17 | — | — | CN | disclosed |