Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 4/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30818113 | 0.87 | PDE1C (0.40) | NOTUMPDE1CHAO1CCNCCDK8 | |
| SCHEMBL926260 | 0.87 | PDE1C (0.40) | NOTUMPDE1CHAO1CCNCCDK8 | |
| SCHEMBL13113212 | 0.80 | HTR2A (0.59) | NOTUMERCC1ERCC4HTR2AHTR2C | |
| SCHEMBL17473919 | 0.77 | HTR2A (0.42) | NOTUMERCC1ERCC4HTR2AHTR2C | |
| SCHEMBL9707251 | 0.76 | HAO1 (0.46) | NOTUMERCC1ERCC4HTR2AHTR2C | |
| SCHEMBL19475346 | 0.75 | PDE1C (0.47) | NOTUMERCC1ERCC4HTR2AHTR2C | |
| SCHEMBL30864172 | 0.75 | CYP2A6 (0.46) | HTR2AHTR2C | |
| SCHEMBL876657 | 0.75 | NOTUM (0.44) | NOTUMERCC1ERCC4HTR2AHTR2C | |
| SCHEMBL29953317 | 0.75 | NOTUM (0.44) | NOTUMERCC1ERCC4HTR2AHTR2C | |
| SCHEMBL30896342 | 0.74 | HAO1 (0.45) | HTR2AHTR2CHTR2BHAO1PRMT5 |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-116456985-A | Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof | 深圳市原力生命科学有限公司 | 2023-07-18 | — | — | CN | disclosed |