Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.32 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.31 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.31 |
| ▸ | RAF1 | P04049 | 5/20 | 0.31 |
| ▸ | BRAF | P15056 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21601407 | 0.85 | HTR1A (0.34) | SCN9APTPN11KCNJ5KCNJ3RAF1 | |
| SCHEMBL20372152 | 0.84 | PIK3CA (0.32) | KCNH2 | |
| SCHEMBL21601140 | 0.83 | KCNH2 (0.34) | KCNH2RAF1BRAF | |
| SCHEMBL20372396 | 0.82 | KCNH2 (0.36) | KCNH2 | |
| SCHEMBL20372597 | 0.81 | KCNH2 (0.36) | KCNH2RAF1BRAFMEN1KMT2A | |
| SCHEMBL21596000 | 0.81 | KCNH2 (0.52) | PPARGKCNH2RAF1BRAF | |
| SCHEMBL21601338 | 0.81 | S1PR4 (0.34) | S1PR4DHFRPPARGSCN5ASCN9A | |
| SCHEMBL20372314 | 0.80 | KCNH2 (0.37) | KCNH2 | |
| SCHEMBL21601253 | 0.80 | KCNH2 (0.42) | KCNH2 | |
| SCHEMBL21601154 | 0.80 | CYP2C9 (0.36) | S1PR4PPARGKCNH2SCN9ARAF1 |
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 |