Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.47 |
| ▸ | MAOB | P27338 | 7/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9904107 | 0.79 | ADORA2B (0.46) | KMT2AADORA2AADORA2BALDH1A1 | |
| SCHEMBL9904093 | 0.76 | MAOB (0.52) | MAOAMAOBRXFP1KMT2AALDH1A1 | |
| SCHEMBL9904155 | 0.70 | ADORA2B (0.48) | ADORA2AADORA2BALDH1A1 | |
| SCHEMBL17091027 | 0.67 | EPHB4 (0.43) | KMT2A | |
| SCHEMBL9904038 | 0.65 | MAOB (0.49) | MAOAMAOBADORA2AADORA2B | |
| SCHEMBL28061963 | 0.64 | RXFP1 (0.59) | MAOAMAOBRXFP1KMT2A | |
| SCHEMBL9904126 | 0.64 | DCTPP1 (0.56) | KMT2AADORA2AADORA2BALDH1A1 | |
| SCHEMBL9928556 | 0.62 | ADORA2B (0.61) | ADORA2AADORA2BALDH1A1PKM | |
| SCHEMBL9904014 | 0.62 | PTGS2 (0.45) | KMT2AADORA2AADORA2B | |
| SCHEMBL19449443 | 0.61 | CA2 (0.42) | KMT2A |
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 |