Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PI4KA | P42356 | 1/20 | 0.43 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5429660 | 0.84 | GRM1 (0.52) | GRM1XDHPI4KAPI4K2BPI4K2A | |
| SCHEMBL13320628 | 0.83 | PI4KA (0.51) | HPGDALDH1A1KDM4EGAAMAPT | |
| SCHEMBL5432320 | 0.82 | GRM1 (0.46) | PDE4APDE4BPDE4CPDE4DGRM1 | |
| SCHEMBL9487197 | 0.80 | RAB9A (0.52) | HPGDALDH1A1KDM4EGAAMAPT | |
| SCHEMBL5429617 | 0.79 | GRM1 (0.50) | HPGDALDH1A1KDM4EMAPTGRM1 | |
| SCHEMBL5429766 | 0.79 | GRM1 (0.51) | ALDH1A1GRM1XDHMAPK1POLB | |
| SCHEMBL14438644 | 0.77 | ADORA2A (0.48) | PDE4APDE4BPDE4CPDE4DMAPK1 | |
| SCHEMBL17151221 | 0.73 | PDE4A (0.46) | HPGDALDH1A1KDM4EGAAMAPT | |
| SCHEMBL5429621 | 0.73 | PDE4A (0.49) | HPGDALDH1A1KDM4EGAAMAPT | |
| SCHEMBL31759280 | 0.72 | MEN1 (0.60) | HPGDALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0383759-B1 | N6 SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | DISCOVERY THERAPEUTICS INC (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0383759-A4 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | — | 1993-03-17 | — | — | EP | disclosed |
| EP-0383759-A1 | N6 SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | Whitby Research Incorporated (US) | 1990-08-29 | — | — | EP | disclosed |
| WO-1988008303-A1 | N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | NELSON RESEARCH AND DEVELOPMENT COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |