Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ESRRG | P62508 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ESRRB | O95718 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28675842 | 0.90 | ESR1 (0.50) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL28671006 | 0.89 | ESR1 (0.48) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL28671369 | 0.88 | ESR1 (0.47) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL29215470 | 0.88 | ESR1 (0.47) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL611095 | 0.86 | ESR1 (0.56) | ESR1ESR2CYP3A4TSHRSLC6A2 | |
| SCHEMBL3354777 | 0.83 | ESR1 (0.57) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL15475852 | 0.83 | ESR1 (0.57) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL28526160 | 0.83 | ESR1 (0.59) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL3015673 | 0.82 | ESR1 (0.73) | ESR1ESR2CYP3A4ESRRGTSHR | |
| SCHEMBL3120648 | 0.80 | MEN1 (0.64) | ESR1ESR2CYP3A4TSHRSLC6A2 |
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-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 |
| CN-113785023-A | Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen | 株式会社百乐 | 2021-12-10 | — | — | CN | disclosed |