Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 8/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.33 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 4/20 | 0.32 |
| ▸ | BRAF | P15056 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20372055 | 0.95 | FFAR4 (0.42) | FFAR4KCNH2PIK3CAMTORAKT1 | |
| SCHEMBL21601226 | 0.92 | FFAR4 (0.35) | FFAR4KCNH2PIK3CAMTORAKT1 | |
| SCHEMBL21601170 | 0.91 | FFAR4 (0.40) | FFAR4KCNH2PIK3CAMTORAKT1 | |
| SCHEMBL20372113 | 0.90 | KCNH2 (0.36) | FFAR4KCNH2PIK3CAMTORAKT1 | |
| SCHEMBL20372152 | 0.89 | PIK3CA (0.32) | FFAR4KCNH2PIK3CAMTOR | |
| SCHEMBL21601260 | 0.89 | KCNH2 (0.39) | FFAR4KCNH2PIK3CARAF1BRAF | |
| SCHEMBL21601295 | 0.89 | KCNH2 (0.35) | FFAR4KCNH2PIK3CAMTORAKT1 | |
| SCHEMBL20372626 | 0.89 | SCN9A (0.40) | FFAR4KCNH2PIK3CAMTORAKT1 | |
| SCHEMBL21601230 | 0.89 | KCNH2 (0.35) | FFAR4KCNH2PIK3CAMTORRAF1 | |
| SCHEMBL20372515 | 0.89 | KCNH2 (0.37) | FFAR4KCNH2PIK3CAMTORRAF1 |
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 |