Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9904127 | 0.87 | KDM4E (0.54) | KDM4EALDH1A1HPGDTDP1ADORA2B | |
| SCHEMBL9904061 | 0.87 | ADORA2B (0.51) | KDM4EALDH1A1HPGDTDP1ADORA2B | |
| SCHEMBL9905475 | 0.85 | KDM4E (0.52) | KDM4EALDH1A1HPGDTDP1ADORA2B | |
| SCHEMBL9904184 | 0.85 | ADORA2B (0.51) | KDM4EALDH1A1HPGDTDP1ADORA2B | |
| SCHEMBL9904138 | 0.83 | ADORA2B (0.63) | KDM4EALDH1A1HPGDTDP1ADORA2B | |
| SCHEMBL9904114 | 0.81 | MAPT (0.57) | KDM4EALDH1A1HPGDTDP1ADORA2B | |
| SCHEMBL9904024 | 0.78 | DCTPP1 (0.54) | KDM4EDCTPP1ADORA2BADORA2ACYP1A2 | |
| SCHEMBL9904155 | 0.78 | ADORA2B (0.48) | KDM4EALDH1A1HPGDTDP1ADORA2B | |
| SCHEMBL9943740 | 0.77 | ADORA2B (0.53) | KDM4EADORA2BADORA2ACYP1A2ADORA3 | |
| SCHEMBL9904124 | 0.77 | ADORA2B (0.47) | KDM4EALDH1A1HPGDTDP1ADORA2B |
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 |