Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.34 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL278212 | 0.89 | NUDT1 (0.43) | CYP2D6PSMB5NUDT1BACE1CYP1A2 | |
| SCHEMBL30677888 | 0.89 | NUDT1 (0.43) | CYP2D6PSMB5NUDT1BACE1CYP1A2 | |
| SCHEMBL278225 | 0.88 | SHBG (0.49) | CYP2C9CYP2C19CYP2D6HIF1AHSD17B10 | |
| SCHEMBL23174721 | 0.80 | NUDT1 (0.38) | NUDT1BACE1SLC5A1SLC5A2HSP90AA1 | |
| SCHEMBL28676321 | 0.80 | NUDT1 (0.40) | NUDT1BACE1SLC5A1SLC5A2HSP90AA1 | |
| SCHEMBL27560096 | 0.80 | HSPA5 (0.44) | NUDT1BACE1HSPA5SMN1; SMN2SLC5A1 | |
| SCHEMBL5485645 | 0.79 | NUDT1 (0.46) | CYP2C9CYP2C19CYP2D6PSMB5NUDT1 | |
| SCHEMBL34995 | 0.79 | AMY1A (0.43) | CYP2C9CYP2C19CYP2D6HIF1AHSD17B10 | |
| SCHEMBL29556326 | 0.79 | AMY1A (0.43) | CYP2C9CYP2C19CYP2D6HIF1AHSD17B10 | |
| SCHEMBL29381510 | 0.79 | AMY1A (0.43) | CYP2C9CYP2C19CYP2D6HIF1AHSD17B10 |
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-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 |