Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9928557 | 0.88 | ADORA2B (0.49) | ADORA2BKDM4ECYP1A2CYP3A4ADORA2A | |
| SCHEMBL9904126 | 0.87 | DCTPP1 (0.56) | ADORA2BKDM4EALDH1A1CYP1A2ADORA2A | |
| SCHEMBL9904014 | 0.84 | PTGS2 (0.45) | ADORA2BKDM4ECYP1A2ADORA2A | |
| SCHEMBL9904107 | 0.84 | ADORA2B (0.46) | ADORA2BKDM4EALDH1A1CYP1A2ADORA2A | |
| SCHEMBL9904113 | 0.81 | KDM4E (0.49) | ADORA2BKDM4EALDH1A1GAACYP1A2 | |
| SCHEMBL9904105 | 0.81 | ADORA2B (0.65) | ADORA2BKDM4EALDH1A1GAAMAPT | |
| SCHEMBL9943454 | 0.81 | ALDH1A1 (0.64) | ADORA2BKDM4EALDH1A1GAACYP1A2 | |
| SCHEMBL9928558 | 0.81 | ADORA2A (0.43) | ADORA2BKDM4EGAACYP1A2ADORA2A | |
| SCHEMBL9904312 | 0.79 | ADORA2B (0.48) | ADORA2BKDM4EALDH1A1MAPTCYP1A2 | |
| SCHEMBL9904008 | 0.79 | MAPT (0.57) | ADORA2BKDM4EALDH1A1MAPTCYP1A2 |
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-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 |