Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | HTR1E | P28566 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9904096 | 0.77 | POLB (0.53) | ALDH1A1SMN1; SMN2MAPK1NPSR1MAPT | |
| SCHEMBL387339 | 0.75 | ALDH1A1 (0.54) | GAAALDH1A1CHRNB2ADRA1DHTR1E | |
| SCHEMBL10309249 | 0.74 | ALDH1A1 (0.49) | GAAALDH1A1CHRNB2ADRA1DHTR1E | |
| SCHEMBL3563144 | 0.74 | ALDH1A1 (0.49) | GAAALDH1A1CHRNB2ADRA1DHTR1E | |
| SCHEMBL1241218 | 0.74 | ALDH1A1 (0.49) | GAAALDH1A1CHRNB2ADRA1DHTR1E | |
| SCHEMBL18343921 | 0.74 | ALDH1A1 (0.49) | GAAALDH1A1CHRNB2ADRA1DHTR1E | |
| SCHEMBL10309259 | 0.71 | ALDH1A1 (0.61) | GAAALDH1A1CHRNB2ADRA1DHTR1E | |
| SCHEMBL18113975 | 0.71 | PNP (0.56) | ALDH1A1MAPTKMT2ATSHRKDM4E | |
| SCHEMBL24769896 | 0.70 | ALDH1A1 (0.46) | GAAALDH1A1CHRNB2ADRA1DHTR1E | |
| SCHEMBL12782625 | 0.70 | ALDH1A1 (0.46) | GAAALDH1A1CHRNB2ADRA1DHTR1E |
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 |