Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6441924 | 0.85 | TLR7 (0.40) | TLR7PDE10AKCNH2BCAT2ADORA2A | |
| SCHEMBL5036760 | 0.83 | ADORA2A (0.49) | TLR7PDE10AADORA2AADORA1MEN1 | |
| SCHEMBL6444873 | 0.82 | ADORA1 (0.34) | PDE10AADORA2AADORA1ADORA2B | |
| SCHEMBL5041593 | 0.72 | ADORA2A (0.49) | ADORA2AADORA1MEN1KMT2AADORA2B | |
| SCHEMBL6440886 | 0.72 | PDE10A (0.34) | PDE10AADORA2AADORA1MEN1NPC1 | |
| SCHEMBL5039700 | 0.71 | ADORA2A (0.53) | ADORA2AADORA1MEN1KMT2AADORA2B | |
| SCHEMBL6442327 | 0.70 | HSP90AA1 (0.33) | — | |
| SCHEMBL5132209 | 0.70 | ADORA2A (0.47) | ADORA2AADORA1MEN1KMT2AADORA2B | |
| SCHEMBL6441566 | 0.70 | ADORA2A (0.47) | TLR7KCNH2ADORA2AADORA1MEN1 | |
| SCHEMBL5040165 | 0.69 | ALDH1A1 (0.41) | ADORA2AADORA1MEN1KMT2AADORA2B |
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 | TLR7 1772/4885PDE10A 362/4885KCNH2 621/4885 |
“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.