Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12165531 | 0.87 | ADORA3 (0.49) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL12188020 | 0.85 | ADORA2A (0.48) | ADORA2AADORA3ADORA1TDP1NPBWR1 | |
| SCHEMBL12188028 | 0.85 | ADORA3 (0.49) | ADORA2AADORA3ADORA1RORC | |
| SCHEMBL12165502 | 0.85 | ADORA3 (0.56) | ADORA2AADORA3ADORA1 | |
| SCHEMBL16065954 | 0.84 | ADORA3 (0.55) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL16065952 | 0.83 | ADORA3 (0.56) | ADORA2AADORA3ADORA1TDP1KDM4E | |
| SCHEMBL12165501 | 0.83 | ADORA3 (0.54) | ADORA2AADORA3ADORA1 | |
| SCHEMBL12165529 | 0.83 | ADORA3 (0.56) | ADORA2AADORA3ADORA1ALDH1A1 | |
| SCHEMBL12165508 | 0.82 | ADORA3 (0.53) | ADORA2AADORA3ADORA1ALDH1A1 | |
| SCHEMBL14922233 | 0.81 | ADORA3 (0.52) | ADORA2AADORA3ADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509983-B1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2014-09-17 | — | — | EP | disclosed |
| US-8435994-B2 | Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-20120232086-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2012-09-13 | — | — | US | disclosed |
| WO-2011060207-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2011-05-19 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120232086-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | ADORA2A, ADORA3, ADORA1 | ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.