Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26504007 | 0.89 | PLA2G1B (0.34) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL25701866 | 0.79 | — | — | |
| SCHEMBL12926080 | 0.78 | CYP1A2 (0.32) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL23192258 | 0.77 | PLA2G1B (0.33) | ALDH1A1 | |
| SCHEMBL5948708 | 0.77 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL5948809 | 0.77 | PLA2G1B (0.40) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL26510965 | 0.75 | DRD2 (0.34) | — | |
| SCHEMBL25122524 | 0.74 | PLA2G1B (0.32) | — | |
| SCHEMBL25888175 | 0.74 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL28634377 | 0.73 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230322785-A1 | ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY | MERCK SHARP & DOHME LLC (US) | 2023-10-12 | — | — | US | 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-20230322785-A1 | ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY | ADORA2A, ADORA2B, ADORA1 | ALDH1A1 638/4885CYP3A4 3316/4885TSHR 154/4885 |
“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.