Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.44 |
| ▸ | PDE8A | O60658 | 2/20 | 0.44 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.43 |
| ▸ | PNP | P00491 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL24499765 | 0.83 | CDK1 (0.56) | CDK1ADORA2AADORA1HSP90B1HSP90AA1 | |
| SCHEMBL129921 | 0.77 | CDK1 (1.00) | CDK1ADORA3ADORA2AADORA1CFTR | |
| SCHEMBL1389421 | 0.77 | CDK1 (0.68) | CDK1ADORA3ADORA2AADORA1CFTR | |
| SCHEMBL24026363 | 0.76 | CDK1 (0.58) | CDK1ADORA3ADORA2AADORA1YTHDC1 | |
| SCHEMBL17040220 | 0.75 | CDK1 (0.66) | CDK1ADORA3ADORA2AADORA1CFTR | |
| SCHEMBL23867144 | 0.75 | CDK1 (0.56) | CDK1ADORA3ADORA2AADORA1CFTR | |
| SCHEMBL23619350 | 0.75 | CDK1 (0.56) | CDK1ADORA3ADORA2AADORA1CFTR | |
| SCHEMBL22700335 | 0.74 | CDK1 (0.64) | CDK1ADORA3ADORA2AADORA1CFTR | |
| SCHEMBL9120 | 0.74 | ADORA2A (0.59) | ADORA3ADORA2AADORA1 | |
| SCHEMBL3441256 | 0.73 | CDK2 (0.71) | CDK1ADORA3ADORA2AADORA1PDE8A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3512860-B1 | NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT | LCB PHARMA INC (CA) | 2020-11-25 | — | — | EP | disclosed |