Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VRK1 | Q99986 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 5/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL20372152 | 0.82 | PIK3CA (0.32) | KCNH2FFAR4 | |
| SCHEMBL20372396 | 0.79 | KCNH2 (0.36) | KCNH2 | |
| SCHEMBL21601253 | 0.79 | KCNH2 (0.42) | KCNH2 | |
| SCHEMBL21601092 | 0.78 | PDE9A (0.32) | USP7PDE9A | |
| SCHEMBL21601140 | 0.78 | KCNH2 (0.34) | KCNH2GRIN2BABL1 | |
| SCHEMBL20372597 | 0.78 | KCNH2 (0.36) | CYP11B2ALDH1A1KCNH2FFAR4 | |
| SCHEMBL20372314 | 0.77 | KCNH2 (0.37) | KCNH2GRIN2B | |
| SCHEMBL20372089 | 0.77 | GRIN2B (0.38) | VRK1ALDH1A1KCNH2GRIN2BFFAR4 | |
| SCHEMBL21601348 | 0.77 | S1PR4 (0.35) | KCNH2 | |
| SCHEMBL20372225 | 0.75 | GRIN2B (0.40) | USP7ALDH1A1KCNH2GRIN2B |
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 |