Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL20372314 | 0.89 | KCNH2 (0.37) | KCNH2GRIN2BSLCO1B1 | |
| SCHEMBL20372152 | 0.85 | PIK3CA (0.32) | KCNH2 | |
| SCHEMBL21601407 | 0.83 | HTR1A (0.34) | GRIN2BRAF1BRAF | |
| SCHEMBL21601404 | 0.83 | KCNH2 (0.39) | KCNH2RAF1BRAFSLCO1B1ABL1 | |
| SCHEMBL21601348 | 0.83 | S1PR4 (0.35) | KCNH2RAF1BRAF | |
| SCHEMBL20372597 | 0.82 | KCNH2 (0.36) | KCNH2HRH4RAF1BRAFSLCO1B1 | |
| SCHEMBL20372396 | 0.82 | KCNH2 (0.36) | KCNH2SLCO1B1 | |
| SCHEMBL21601253 | 0.81 | KCNH2 (0.42) | KCNH2 | |
| SCHEMBL21595626 | 0.80 | KCNH2 (0.55) | KCNH2GRIN2BRAF1BRAFSLCO1B1 | |
| SCHEMBL21601175 | 0.79 | KCNH2 (0.39) | KCNH2GRIN2BRAF1BRAFSLCO1B1 |
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-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |