Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 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 | |
|---|---|---|---|---|
| SCHEMBL20372544 | 1.00 | KCNH2 (0.34) | KCNH2SLCO1B1USP7PDE9A | |
| SCHEMBL20372101 | 0.88 | — | — | |
| SCHEMBL20372383 | 0.87 | KCNH2 (0.39) | KCNH2SLCO1B1 | |
| SCHEMBL18507541 | 0.80 | KCNH2 (0.52) | KCNH2SLCO1B1USP7 | |
| SCHEMBL20372050 | 0.77 | KCNH2 (0.36) | KCNH2SLCO1B1 | |
| SCHEMBL20372099 | 0.76 | KCNH2 (0.33) | KCNH2SLCO1B1 | |
| SCHEMBL20372032 | 0.76 | KCNH2 (0.33) | KCNH2SLCO1B1 | |
| SCHEMBL20361740 | 0.76 | KCNH2 (0.56) | KCNH2SLCO1B1 | |
| SCHEMBL21714728 | 0.76 | KCNH2 (0.56) | KCNH2SLCO1B1 | |
| SCHEMBL20361136 | 0.76 | KCNH2 (0.56) | KCNH2SLCO1B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018127800-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2018-07-12 | — | — | WO | disclosed |