Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.52 |
| ▸ | MAOA | P21397 | 4/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.47 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL9928557 | 0.80 | ADORA2B (0.49) | STIM1ORAI1KEAP1NFE2L2 | |
| SCHEMBL9904037 | 0.76 | MAOA (0.47) | MAOBMAOAPKMRXFP1KMT2A | |
| SCHEMBL9928595 | 0.71 | KDM4E (0.56) | — | |
| SCHEMBL19454746 | 0.69 | CHRNB2 (0.53) | STIM1ORAI1TP53KEAP1NFE2L2 | |
| SCHEMBL30987400 | 0.68 | STIM1 (0.52) | STIM1ORAI1TP53KEAP1NFE2L2 | |
| SCHEMBL5142412 | 0.68 | ADORA2A (0.73) | MAOBALDH1A1HIF1A | |
| SCHEMBL5142413 | 0.68 | ADORA2A (0.73) | MAOBALDH1A1HIF1A | |
| SCHEMBL4636116 | 0.68 | MAOB (0.57) | MAOBMAOAPKMTHRBTP53 | |
| SCHEMBL23297556 | 0.67 | NUDT5 (0.54) | MAOBDPP4MEN1KMT2AHTT | |
| SCHEMBL23297572 | 0.67 | NUDT5 (0.73) | DPP4MEN1KMT2ASMN1; SMN2ALDH1A1 |
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 |