Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.53 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3190810 | 1.00 | SHBG (0.53) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL686771 | 0.98 | SHBG (0.55) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL28684704 | 0.91 | SHBG (0.53) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL4067177 | 0.87 | SHBG (0.53) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL15800832 | 0.87 | SHBG (0.53) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL17095067 | 0.85 | SHBG (0.44) | SHBGHMGB1CXCL12PTGS1PTGS2 | |
| Pyrogallol SCHEMBL17453322 | 0.85 | TRPA1 (0.48) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL14462649 | 0.85 | ESR1 (0.63) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL1269461 | 0.85 | AMY1A (0.55) | SHBGHMGB1CXCL12CA1CA2 | |
| SCHEMBL30374768 | 0.85 | AMY1A (0.55) | SHBGHMGB1CXCL12CA1CA2 |
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 |