Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | HUWE1 | Q7Z6Z7 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10660880 | 0.85 | NPSR1 (0.43) | ADORA2AADORA1TMIGD3ADORA2BNPSR1 | |
| SCHEMBL11023685 | 0.82 | PDE4A (0.45) | ADORA2AADORA1TMIGD3ADORA2BNPSR1 | |
| SCHEMBL10659703 | 0.81 | KHK (0.50) | — | |
| SCHEMBL10659980 | 0.79 | HRH4 (0.40) | ADORA2AADORA1TMIGD3ADORA2BNPSR1 | |
| SCHEMBL10664114 | 0.79 | ADK (0.43) | ADORA2AADORA1TMIGD3ADORA2BNPSR1 | |
| SCHEMBL10661032 | 0.79 | HTR2A (0.44) | ADORA2AADORA1TMIGD3ADORA2BABCC1 | |
| SCHEMBL11025172 | 0.79 | ADORA2A (0.39) | ADORA2AADORA1TMIGD3ADORA2BNPSR1 | |
| SCHEMBL10972136 | 0.79 | ADK (0.42) | ADORA2AADORA1TMIGD3ADORA2BNPSR1 | |
| SCHEMBL10757171 | 0.78 | POLB (0.42) | MAPK1HTTEGFRLMNATP53 | |
| SCHEMBL11048920 | 0.77 | PDE4A (0.44) | ADORA2AADORA1TMIGD3ADORA2BADK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | disclosed |
| EP-0023559-A1 | 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |