Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9928559 | 0.77 | KDM4E (0.49) | ALDH1A1ADORA2AADORA2BKDM4ECYP1A2 | |
| SCHEMBL516456 | 0.76 | ALDH1A1 (0.73) | ALDH1A1CYP2C19TSHRSMN1; SMN2ADORA2A | |
| SCHEMBL9928563 | 0.76 | GAA (0.56) | ALDH1A1TSHRADORA2AADORA2BKDM4E | |
| Ammonia Solution, Strong SCHEMBL8547494 | 0.75 | ALDH1A1 (0.71) | ALDH1A1CYP2C19TSHRSMN1; SMN2ADORA2A | |
| SCHEMBL9904115 | 0.75 | KDM4E (0.47) | ALDH1A1CYP2C19ADORA2AADORA2BKDM4E | |
| SCHEMBL9904107 | 0.74 | ADORA2B (0.46) | ALDH1A1CYP2C19ADORA2AADORA2BKDM4E | |
| SCHEMBL9904113 | 0.74 | KDM4E (0.49) | ALDH1A1ADORA2AADORA2BKDM4ECYP1A2 | |
| SCHEMBL9943454 | 0.73 | ALDH1A1 (0.64) | ALDH1A1TSHRADORA2AADORA2BKDM4E | |
| SCHEMBL9928555 | 0.72 | ADORA2A (0.58) | SMN1; SMN2ADORA2AADORA2BCYP1A2ADORA3 | |
| SCHEMBL9904126 | 0.72 | DCTPP1 (0.56) | ALDH1A1ADORA2AADORA2BKDM4ECYP1A2 |
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 |
| 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 |
| 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 |