Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 5/20 | 0.49 |
| ▸ | ADK | P55263 | 1/20 | 0.45 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31042997 | 0.83 | CDK1 (0.56) | NSD3CDK1IKBKBCHUKCDK2 | |
| SCHEMBL19302899 | 0.83 | CDK1 (0.55) | MAPK14CDK1ADORA1ADORA3ADORA2A | |
| SCHEMBL28143395 | 0.81 | DPP4 (0.41) | MAPK14ADKADORA1MEN1KMT2A | |
| SCHEMBL24450878 | 0.80 | KMT2A (0.48) | MAPK14CDK1ADORA1KMT2AMAPT | |
| SCHEMBL22587440 | 0.78 | ADORA2A (0.57) | MAPK14CDK1ADORA1BTKMEN1 | |
| SCHEMBL24450947 | 0.78 | SQOR (0.48) | MAPK14CDK1MEN1KMT2ATLR9 | |
| SCHEMBL29426275 | 0.78 | ADORA2A (0.57) | MAPK14CDK1ADORA1BTKMEN1 | |
| SCHEMBL29842526 | 0.77 | CDK1 (0.52) | NSD3CDK1ADORA1ADORA3ADORA2A | |
| SCHEMBL6662718 | 0.77 | CDK1 (0.52) | NSD3CDK1ADORA1ADORA3ADORA2A | |
| SCHEMBL24451046 | 0.75 | MAPK14 (0.43) | MAPK14ADORA1CDK2ADORA3ADORA2A |
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-109651370-A | A kind of purine analog derivative free radical precursor molecule and preparation method thereof | 桂林理工大学 | 2019-04-19 | — | — | CN | disclosed |