Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 1/20 | 0.60 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.60 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | UBE2N | P61088 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15869891 | 0.94 | PDE1A (0.54) | PDE1APDE1BPDE1CSMN1; SMN2RXFP1 | |
| SCHEMBL15869889 | 0.87 | HIF1A (0.56) | PDE1APDE1BPDE1CSMN1; SMN2RXFP1 | |
| SCHEMBL556216 | 0.84 | SMN1; SMN2 (0.80) | PDE1APDE1BPDE1CSMN1; SMN2RXFP1 | |
| SCHEMBL15870738 | 0.84 | ADORA2A (0.54) | PDE1APDE1BPDE1CSMN1; SMN2RXFP1 | |
| SCHEMBL19006914 | 0.83 | MAPK1 (0.53) | ADORA2BL3MBTL1LMNAMEN1KMT2A | |
| SCHEMBL555839 | 0.81 | PDE1A (0.67) | PDE1APDE1BPDE1CSMN1; SMN2RXFP1 | |
| SCHEMBL15862281 | 0.79 | ALDH1A1 (0.67) | SMN1; SMN2HIF1ATP53HTTL3MBTL1 | |
| SCHEMBL555718 | 0.78 | SMN1; SMN2 (0.76) | PDE1APDE1BPDE1CSMN1; SMN2RXFP1 | |
| SCHEMBL14907910 | 0.77 | SMN1; SMN2 (0.58) | PDE1APDE1BPDE1CSMN1; SMN2RXFP1 | |
| Hydrochloric Acid SCHEMBL11532235 | 0.77 | ALDH1A1 (0.57) | SMN1; SMN2RXFP1ADORA2BPOLBHIF1A |
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-2753333-B1 | CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES | PROTAMED INC (US) | 2017-06-21 | — | — | EP | disclosed |