Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL837093 | 0.93 | ADORA2B (0.43) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL836978 | 0.90 | ADORA2B (0.46) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL837624 | 0.90 | ADORA2B (0.49) | ADORA2BNPC1SMN1; SMN2RAB9AADORA1 | |
| SCHEMBL1067151 | 0.90 | NPC1 (0.45) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL1066470 | 0.90 | ADORA2B (0.43) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL1070506 | 0.87 | NPC1 (0.46) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL836881 | 0.87 | ADORA2B (0.46) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3115399 | 0.86 | NPC1 (0.51) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3114981 | 0.86 | NPC1 (0.53) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3111410 | 0.86 | NPC1 (0.43) | ADORA2BNPC1SMN1; SMN2RAB9AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143264-B2 | Xanthine derivatives as selective HM74A agonists | GLAXOSMITHKLINE LLC (US) | 2012-03-27 | — | — | US | disclosed |
| US-20100168122-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2010-07-01 | — | — | 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-20100168122-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | GPR84, XDH, GPR88 | ADORA2B 94/4885NPC1 962/4885SMN1; SMN2 740/4885 |
“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.