Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| SCHEMBL4063026 | 1.00 | SHBG (0.61) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL3710965 | 1.00 | SHBG (0.61) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL13609029 | 0.96 | SHBG (0.61) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL4061628 | 0.91 | SHBG (0.51) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL10024009 | 0.89 | SHBG (0.58) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL5527320 | 0.88 | ESR1 (0.61) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL8680249 | 0.86 | ESR1 (0.55) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL6847088 | 0.86 | ESR1 (0.64) | SHBGESR1ESR2KEAP1PTPN1 | |
| SCHEMBL29941878 | 0.86 | SHBG (0.73) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL687399 | 0.86 | SHBG (0.73) | SHBGESR1ESR2HMGB1CXCL12 |
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 |