Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3121560 | 0.97 | ADORA2A (0.48) | ALDH1A1CYP1A2CYP2C19CYP2D6ADORA2B | |
| SCHEMBL3104021 | 0.90 | ADORA2A (0.45) | ALDH1A1CYP1A2CYP2C19ADORA2BADORA2A | |
| SCHEMBL3121321 | 0.86 | ADORA2A (0.43) | ALDH1A1CYP1A2CYP2C19ADORA2BADORA2A | |
| SCHEMBL13247874 | 0.85 | ADORA1 (0.45) | ALDH1A1CYP1A2CYP2C19ADORA2BADORA2A | |
| SCHEMBL13247876 | 0.83 | PGR (0.50) | ALDH1A1CYP1A2CYP2C19ADORA2BADORA2A | |
| SCHEMBL3105542 | 0.82 | ADORA1 (0.49) | ALDH1A1CYP1A2CYP2C19ADORA2BADORA2A | |
| SCHEMBL3115718 | 0.82 | ADORA2A (0.55) | ALDH1A1CYP1A2CYP2C19ADORA2BADORA2A | |
| SCHEMBL3119443 | 0.82 | SIRT1 (0.54) | ADORA2BADORA2AADORA1 | |
| SCHEMBL836300 | 0.82 | ADORA2B (0.55) | ALDH1A1CYP1A2CYP2C19ADORA2BADORA2A | |
| SCHEMBL837397 | 0.81 | HTR1A (0.52) | ALDH1A1ADORA2BADORA2AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20100179128-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION | 2010-07-15 | — | — | US | disclosed |
| US-20100179128-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION | 2010-07-15 | — | — | US | disclosed |
| US-20100179128-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION | 2010-07-15 | — | — | 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-20100179128-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | XDH, GPR84, GPR88 | ALDH1A1 600/4885CYP1A2 255/4885CYP2C19 914/4885 |
“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.