Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.52 |
| ▸ | GUSB | P08236 | 1/20 | 0.48 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12256659 | 0.84 | ADORA2A (0.53) | ADORA2AADORA1GUSBCCNE2CCNE1 | |
| SCHEMBL12233411 | 0.79 | KDM4E (0.35) | ADORA2AADORA1KDM4EMAPTKMT2A | |
| SCHEMBL8182463 | 0.78 | KDM4E (0.54) | KDM4EMEN1ALDH1A1POLBMAPT | |
| SCHEMBL8194749 | 0.77 | ADORA2A (0.52) | ADORA2AADORA1ADORA2B | |
| SCHEMBL25090458 | 0.72 | ADORA2A (0.75) | ADORA2AADORA1KDM4EADORA2B | |
| SCHEMBL8184239 | 0.67 | ADORA2B (0.54) | ADORA2AADORA1KDM4EALDH1A1HPGD | |
| SCHEMBL12257516 | 0.67 | ADORA2B (0.66) | ADORA2AADORA2B | |
| SCHEMBL10871179 | 0.66 | TDP2 (0.47) | ADORA2AADORA1GUSBKDM4EMEN1 | |
| SCHEMBL21153881 | 0.66 | ADORA2A (0.53) | ADORA2AADORA1ADORA2B | |
| SCHEMBL16007517 | 0.65 | GUSB (1.00) | GUSBKDM4EMEN1ALDH1A1POLB |
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-8044061-B2 | Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. | UCB PHARMA GMBH (DE) | 2011-10-25 | — | — | US | disclosed |
| US-20080221134-A1 | 8-ALKYNYLXANTHINES AND DERIVATIVES | RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) | 2008-09-11 | — | — | US | disclosed |
| WO-2008077557-A1 | 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS | SCHWARZ PHARMA AG (DE) | 2008-07-03 | — | — | 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-20080221134-A1 | 8-ALKYNYLXANTHINES AND DERIVATIVES | SLC6A3, PARK7, SLC18A2 | ADORA2A 115/4885ADORA1 314/4885GUSB 987/4885 |
“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.