Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 2/20 | 0.57 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.57 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | NCK1 | P16333 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30968858 | 1.00 | CLK1 (0.57) | CLK1DYRK1ACDK5CDK5R1CYP1A2 | |
| SCHEMBL30968859 | 1.00 | CLK1 (0.57) | CLK1DYRK1ACDK5CDK5R1CYP1A2 | |
| SCHEMBL24473240 | 0.79 | CYP1A2 (0.40) | CLK1DYRK1ACYP1A2CYP2A6TYMS | |
| SCHEMBL22136018 | 0.76 | CLK1 (0.62) | CLK1DYRK1ACDK5CDK5R1CYP2A6 | |
| SCHEMBL22449721 | 0.76 | CYP1A2 (0.50) | CLK1DYRK1ACYP1A2CYP2A6ADORA1 | |
| SCHEMBL2632884 | 0.72 | LCK (0.57) | CLK1DYRK1ACYP1A2CYP2A6ADORA1 | |
| SCHEMBL12490217 | 0.70 | NOS3 (0.41) | CYP1A2CYP2A6TYMSCCR1CCR5 | |
| SCHEMBL13591993 | 0.69 | CLK1 (0.54) | CLK1DYRK1ACDK5CDK5R1KDM4E | |
| SCHEMBL2918287 | 0.69 | CLK1 (0.46) | CLK1DYRK1ACDK5CDK5R1FGFR1 | |
| SCHEMBL599276 | 0.68 | CYP1A2 (0.65) | CYP1A2CYP2A6TYMSNCK1BACE1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118344864-A | Application of multi-nitrogen heterocyclic triphenylamine compound as luminescent material | 江苏省计量科学研究院(江苏省能源计量数据中心) | 2024-07-16 | — | — | CN | disclosed |