Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 2/20 | 0.30 |
| ▸ | BRAF | P15056 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20372596 | 0.90 | KCNH2 (0.39) | KCNH2ALDH1A1FFAR4PIK3CAHDAC1 | |
| SCHEMBL20372152 | 0.87 | PIK3CA (0.32) | KCNH2FFAR4PIK3CA | |
| SCHEMBL20372396 | 0.86 | KCNH2 (0.36) | KCNH2PIK3CASLCO1B1 | |
| SCHEMBL20372314 | 0.85 | KCNH2 (0.37) | KCNH2SLCO1B1 | |
| SCHEMBL21601253 | 0.83 | KCNH2 (0.42) | KCNH2 | |
| SCHEMBL21601140 | 0.82 | KCNH2 (0.34) | KCNH2HRH4SLCO1B1RAF1BRAF | |
| SCHEMBL21601407 | 0.81 | HTR1A (0.34) | RAF1BRAF | |
| SCHEMBL21601348 | 0.81 | S1PR4 (0.35) | KCNH2MEN1KMT2ARAF1BRAF | |
| SCHEMBL21715054 | 0.81 | KCNH2 (0.55) | KCNH2PIK3CAHDAC1SLCO1B1RAF1 | |
| SCHEMBL20361662 | 0.81 | KCNH2 (0.55) | KCNH2PIK3CAHDAC1SLCO1B1RAF1 |
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 |