Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL15935851 | 1.00 | BACE1 (0.32) | BACE1CYP3A4MAPK1SMYD2CHRNB2 | |
| SCHEMBL12509355 | 1.00 | BACE1 (0.32) | BACE1CYP3A4MAPK1SMYD2CHRNB2 | |
| SCHEMBL25518968 | 0.81 | CYP3A4 (0.36) | BACE1CYP3A4MAPK1 | |
| SCHEMBL25518970 | 0.79 | SMYD2 (0.34) | BACE1CYP3A4MAPK1SMYD2 | |
| SCHEMBL1139972 | 0.75 | BACE1 (0.36) | BACE1CYP3A4MAPK1SMYD2 | |
| SCHEMBL23635234 | 0.73 | SMYD2 (0.31) | SMYD2 | |
| SCHEMBL24673063 | 0.73 | SMYD2 (0.32) | CYP3A4MAPK1SMYD2 | |
| SCHEMBL12269674 | 0.72 | SMYD2 (0.32) | CYP3A4SMYD2 | |
| SCHEMBL12269848 | 0.72 | SMYD2 (0.31) | CYP3A4SMYD2 | |
| SCHEMBL12269683 | 0.72 | SMYD2 (0.31) | CYP3A4SMYD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9181253-B2 | Adenosine receptor agonists, partial agonists, and antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2015-11-10 | — | — | US | disclosed |
| US-8916570-B2 | A3 adenosine receptor agonists and antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2014-12-23 | — | — | US | disclosed |
| US-8796291-B2 | A3 adenosine receptor antagonists and partial agonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2014-08-05 | — | — | US | disclosed |
| US-20120252823-A1 | ADENOSINE RECEPTOR AGONISTS, PARTIAL AGONISTS, AND ANTAGONISTS | SERVICES (US) | 2012-10-04 | — | — | US | disclosed |
| US-20120184569-A1 | A3 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) | 2012-07-19 | — | — | 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 (2 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-20120252823-A1 | ADENOSINE RECEPTOR AGONISTS, PARTIAL AGONISTS, AND ANTAGONISTS | ADORA1, ADORA3, ADORA2A | BACE1 724/4885CYP3A4 736/4885MAPK1 2457/4885 |
| US-20120184569-A1 | A3 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS | ADORA3, ADORA1, ADORA2A | BACE1 2879/4885CYP3A4 1321/4885MAPK1 2523/4885 |
“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.