Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 14/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2812060 | 0.81 | ADORA2A (0.84) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL30577979 | 0.78 | ADORA2A (0.67) | ADORA2AADORA1CYP3A4KCNH2MAPT | |
| SCHEMBL2814655 | 0.77 | ADORA2A (0.58) | ADORA2AADORA1CYP3A4KCNH2MAPT | |
| SCHEMBL5022418 | 0.75 | ADORA2A (0.67) | ADORA2AADORA1CYP3A4KCNH2MAPT | |
| SCHEMBL2814631 | 0.73 | ADORA2A (1.00) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL2813690 | 0.70 | ADORA2A (0.69) | ADORA2AADORA1MAPTALOX15HTT | |
| SCHEMBL30421872 | 0.69 | HTT (0.64) | ADORA2AADORA1MAPTALOX15HTT | |
| SCHEMBL2812766 | 0.68 | HTT (0.73) | ADORA2AADORA1CYP3A4MAPTALOX15 | |
| SCHEMBL30577982 | 0.67 | ADORA2A (0.67) | ADORA2AADORA1CYP3A4KCNH2MAPT | |
| SCHEMBL30577987 | 0.67 | ADORA2A (0.67) | ADORA2AADORA1CYP3A4KCNH2MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100249084-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL, S.A. (ES) | 2010-09-30 | — | — | US | disclosed |
| US-20100249084-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL, S.A. (ES) | 2010-09-30 | — | — | US | disclosed |
| US-20100249084-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL, S.A. (ES) | 2010-09-30 | — | — | US | disclosed |
| EP-2132197-A2 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | Almirall, S.A. (ES) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008116185-A2 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-09-25 | — | — | WO | disclosed |
| WO-2008116185-A2 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-09-25 | — | — | 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-20100249084-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ADORA3, ADORA1, ADORA2A | ADORA2A 3/4885ADORA1 2/4885CYP3A4 965/4885 |
“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.