Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.72 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.72 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.72 |
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5041600 | 0.86 | ADORA2A (0.70) | ADORA2AADORA1ADORA2BDHFRALDH1A1 | |
| SCHEMBL11838487 | 0.85 | ALDH1A1 (0.57) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| SCHEMBL6440893 | 0.85 | ADORA2A (0.68) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| SCHEMBL5039804 | 0.84 | ADORA1 (1.00) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| SCHEMBL6446123 | 0.82 | ADORA2A (0.65) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| SCHEMBL6442193 | 0.81 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| SCHEMBL6443406 | 0.81 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| SCHEMBL6441106 | 0.81 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| SCHEMBL6441851 | 0.81 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BALDH1A1MEN1 | |
| Benzene SCHEMBL6444041 | 0.81 | ADORA2A (0.67) | ADORA2AADORA1ADORA2BALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| 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 |
| 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 |
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 3/4885ADORA2B 2/4885 |
“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.