Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943582 | 0.85 | ADORA2B (0.46) | ADORA2AADORA2BLMNACYP1A2CYP3A4 | |
| SCHEMBL515967 | 0.74 | ADORA2A (1.00) | ADORA2AADORA2BLMNACYP1A2CYP3A4 | |
| SCHEMBL9928559 | 0.73 | KDM4E (0.49) | ADORA2AADORA2BLMNACYP1A2ADORA3 | |
| SCHEMBL9904126 | 0.73 | DCTPP1 (0.56) | ADORA2AADORA2BCYP1A2ADORA3MEN1 | |
| 8-Cyclopentyltheophylline SCHEMBL13397811 | 0.73 | ADORA2A (1.00) | ADORA2AADORA2BLMNACYP1A2CYP3A4 | |
| 8-Cyclopentyltheophylline SCHEMBL431907 | 0.73 | ADORA2A (1.00) | ADORA2AADORA2BLMNACYP1A2CYP3A4 | |
| SCHEMBL9928563 | 0.72 | GAA (0.56) | ADORA2AADORA2BLMNACYP1A2ADORA3 | |
| SCHEMBL9904070 | 0.72 | ALDH1A1 (0.51) | ADORA2AADORA2BLMNACYP1A2ADORA3 | |
| SCHEMBL9904211 | 0.72 | MEN1 (0.44) | ADORA2AADORA2BCYP1A2ADORA3MEN1 | |
| SCHEMBL9928556 | 0.72 | ADORA2B (0.61) | ADORA2AADORA2BCYP1A2CYP3A4GAA |
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 3 patents. 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 |
| 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 |
| WO-2012076974-A1 | 8-TRIAZOLYLXANTHINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | LIFE & BRAIN GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |