Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.42 |
| ▸ | CDK7 | P50613 | 3/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.42 |
| ▸ | ULK1 | O75385 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.34 |
| ▸ | KCNN2 | Q9H2S1 | 1/20 | 0.34 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24358184 | 0.92 | GABRA5 (0.42) | CHEK1CDK7GABRA5ULK1AR | |
| SCHEMBL30745668 | 0.92 | GABRA5 (0.42) | CHEK1CDK7GABRA5ULK1AR | |
| SCHEMBL29601482 | 0.87 | GABRA5 (0.45) | CHEK1CDK7GABRA5ULK1CDK5 | |
| SCHEMBL24358064 | 0.87 | GABRA5 (0.45) | CHEK1CDK7GABRA5ULK1CDK5 | |
| SCHEMBL24358115 | 0.83 | SCN9A (0.40) | CHEK1CDK7GABRA5ULK1AR | |
| SCHEMBL24358123 | 0.83 | SCN9A (0.40) | CHEK1CDK7GABRA5ULK1AR | |
| SCHEMBL29601458 | 0.83 | SCN9A (0.40) | CHEK1CDK7GABRA5ULK1AR | |
| SCHEMBL24358255 | 0.81 | KCNN1 (0.56) | KCNN1KCNN2KCNN3MEN1ALDH1A1 | |
| SCHEMBL29601694 | 0.81 | KCNN1 (0.56) | KCNN1KCNN2KCNN3MEN1ALDH1A1 | |
| SCHEMBL29078720 | 0.80 | IDH2 (0.39) | KCNN1KCNN2KCNN3MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4232449-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | Celgene Corporation (US) | 2023-08-30 | — | — | EP | disclosed |
| WO-2022087326-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | CELGENE CORPORATION (US) | 2022-04-28 | — | — | WO | disclosed |