Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 11/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6440882 | 0.84 | ADORA2A (0.42) | ADORA2ANLRP3TLR7KCNH2HTR2A | |
| SCHEMBL6442325 | 0.82 | NLRP3 (0.42) | ADORA2ANLRP3TLR7KCNH2GRM5 | |
| SCHEMBL6446164 | 0.81 | ADORA2A (0.43) | ADORA2ANLRP3APPLMNAMAPT | |
| SCHEMBL6443235 | 0.81 | ADORA2A (0.49) | ADORA2ANLRP3APPLMNAMAPT | |
| SCHEMBL6443563 | 0.81 | ADORA2A (0.45) | ADORA2ANLRP3LMNAMAPTTSHR | |
| SCHEMBL6441943 | 0.79 | ADORA2A (0.46) | ADORA2ANLRP3TLR7KCNH2HTR2A | |
| SCHEMBL6440840 | 0.77 | ADORA2A (0.45) | ADORA2ANLRP3LMNAMAPTTSHR | |
| SCHEMBL6443539 | 0.76 | ADORA2A (0.48) | ADORA2ANLRP3TLR7APPKDM4E | |
| SCHEMBL6449459 | 0.75 | APP (0.52) | ADORA2ANLRP3APPHTTKDM4E | |
| SCHEMBL5041593 | 0.75 | ADORA2A (0.49) | ADORA2ALMNAMAPTTSHRHTT |
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 5 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 |
| 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 1/4885NLRP3 2225/4885TLR7 1772/4885 |
“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.