Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 11/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK3 | P49761 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24536500 | 0.78 | METAP2 (0.53) | METAP2TRPA1HSP90AA1IDO1CDK2 | |
| SCHEMBL24859351 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL31460379 | 0.75 | IDO1 (0.47) | METAP2HSP90AA1IDO1CDK2PIM1 | |
| SCHEMBL23043099 | 0.75 | IDO1 (0.47) | METAP2HSP90AA1IDO1CDK2PIM1 | |
| SCHEMBL29680217 | 0.75 | IDO1 (0.47) | METAP2HSP90AA1IDO1CDK2PIM1 | |
| SCHEMBL29344697 | 0.74 | METAP2 (0.45) | METAP2TRPA1HSP90AA1IDO1CDK2 | |
| SCHEMBL26302437 | 0.74 | METAP2 (0.52) | METAP2TRPA1HSP90AA1IDO1CDK2 | |
| SCHEMBL17030764 | 0.73 | IDO1 (0.43) | METAP2TRPA1IDO1ALDH1A1 | |
| SCHEMBL24782269 | 0.70 | IDO1 (0.41) | METAP2IDO1DYRK1A | |
| SCHEMBL26419117 | 0.70 | IDO1 (0.41) | METAP2TRPA1IDO1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022227987-A1 | HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2022-11-03 | — | — | WO | disclosed |