Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9928555 | 0.85 | ADORA2A (0.58) | ADORA2BADORA2AMAPK1ADORA3MEN1 | |
| SCHEMBL9928558 | 0.71 | ADORA2A (0.43) | ADORA2BADORA2AADORA3MEN1KMT2A | |
| SCHEMBL9928559 | 0.70 | KDM4E (0.49) | ADORA2BADORA2AADORA3MEN1KMT2A | |
| SCHEMBL9904126 | 0.70 | DCTPP1 (0.56) | ADORA2BADORA2AADORA3MEN1KMT2A | |
| SCHEMBL9904211 | 0.69 | MEN1 (0.44) | ADORA2BADORA2AADORA3MEN1KMT2A | |
| SCHEMBL9904070 | 0.69 | ALDH1A1 (0.51) | ADORA2BADORA2AADORA3MEN1KMT2A | |
| SCHEMBL9928563 | 0.69 | GAA (0.56) | ADORA2BADORA2AADORA3MEN1KMT2A | |
| SCHEMBL9943454 | 0.69 | ALDH1A1 (0.64) | ADORA2BADORA2AADORA3MEN1KMT2A | |
| SCHEMBL9928556 | 0.69 | ADORA2B (0.61) | ADORA2BADORA2ACYP1A2CYP3A4GAA | |
| SCHEMBL9904107 | 0.68 | ADORA2B (0.46) | ADORA2BADORA2AADORA3MEN1KMT2A |
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-2465859-A1 | 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists | Life & Brain GmbH (DE) | 2012-06-20 | — | — | EP | disclosed |