Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7403108 | 0.86 | ADORA2A (0.41) | ADORA2AADORA1DHFRCCNA2CDK2 | |
| SCHEMBL7151592 | 0.85 | ADORA2A (0.44) | ADORA2AADORA1HDAC1DHFR | |
| SCHEMBL7147864 | 0.85 | KDM4E (0.45) | ADORA2AADORA1HDAC1DHFRCCNA2 | |
| SCHEMBL7147047 | 0.84 | ADORA2A (0.47) | ADORA2AADORA1DHFRCCNA2CDK2 | |
| SCHEMBL6449356 | 0.83 | ADORA2A (0.54) | ADORA2AADORA1CCNA2CDK2CCNA1 | |
| SCHEMBL7152635 | 0.81 | ADORA2A (0.49) | ADORA2AADORA1 | |
| SCHEMBL7149986 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1CCNA2CDK2CCNA1 | |
| SCHEMBL5046627 | 0.80 | ADORA2A (0.53) | ADORA2AADORA1HDAC1 | |
| SCHEMBL7144843 | 0.78 | ADORA2A (0.49) | ADORA2AADORA1CCNA2CDK2CCNA1 | |
| SCHEMBL7169211 | 0.77 | ADORA2A (0.45) | ADORA2AADORA1HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | US | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | 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-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | ADORA2A, ADORA2B, ADORA1 | ADORA2A 1/4885ADORA1 3/4885GBA1 692/4885 |
“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.