Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 18/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.56 |
| ▸ | AR | P10275 | 3/20 | 0.49 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL25314566 | 0.98 | ESR1 (0.57) | ESR1ESR2ARESRRG | |
| SCHEMBL29499838 | 0.98 | ESR1 (0.57) | ESR1ESR2ARESRRG | |
| SCHEMBL30374804 | 0.95 | ESR1 (0.54) | ESR1ESR2AR | |
| SCHEMBL29499835 | 0.93 | ESR1 (0.56) | ESR1ESR2AR | |
| SCHEMBL2953697 | 0.86 | ESR1 (0.69) | ESR1ESR2ARESRRGALDH1A1 | |
| SCHEMBL589455 | 0.85 | ESR1 (0.59) | ESR1ESR2AR | |
| SCHEMBL31717175 | 0.85 | ESR1 (0.59) | ESR1ESR2AR | |
| SCHEMBL7969173 | 0.84 | ESR1 (0.61) | ESR1ESR2ARALDH1A1CYP3A4 | |
| SCHEMBL21853575 | 0.84 | ESR1 (0.61) | ESR1ESR2ARESRRGALDH1A1 | |
| SCHEMBL30375021 | 0.84 | ESR1 (0.53) | ESR1ESR2ARESRRGALDH1A1 |
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-113646052-B | Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument | 百乐墨水株式会社 | 2024-05-17 | — | — | CN | disclosed |
| CN-113785023-B | Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same | 株式会社百乐 | 2023-05-12 | — | — | CN | disclosed |