Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29831687 | 1.00 | ESR1 (0.37) | ESR1ESR2ACHECETPNUDT1 | |
| SCHEMBL3194500 | 1.00 | ESR1 (0.37) | ESR1ESR2ACHECETPNUDT1 | |
| SCHEMBL30375546 | 0.87 | ESR1 (0.38) | ESR1ESR2ACHENUDT1BACE1 | |
| SCHEMBL22534424 | 0.87 | ESR1 (0.38) | ESR1ESR2ACHENUDT1BACE1 | |
| SCHEMBL29908289 | 0.85 | AMY1A (0.48) | ESR1ESR2ACHENUDT1BACE1 | |
| SCHEMBL30374839 | 0.85 | AMY1A (0.48) | ESR1ESR2ACHENUDT1BACE1 | |
| SCHEMBL3199214 | 0.85 | AMY1A (0.48) | ESR1ESR2ACHENUDT1BACE1 | |
| SCHEMBL4455212 | 0.82 | HSP90AA1 (0.34) | ESR1ESR2ACHENUDT1BACE1 | |
| SCHEMBL13708132 | 0.81 | ACHE (0.37) | ESR1ESR2ACHENUDT1BACE1 | |
| SCHEMBL13708135 | 0.81 | ESR1 (0.48) | ESR1ESR2ACHENUDT1BACE1 |
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 |