Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | CALCA | P06881 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9901141 | 0.93 | CYP2C9 (0.51) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL14212656 | 0.91 | CYP2C9 (0.49) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL9942964 | 0.90 | CYP2C9 (0.41) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL9901641 | 0.90 | CYP2C9 (0.48) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL9901008 | 0.90 | CYP2C9 (0.52) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL62449 | 0.90 | CYP2C9 (0.52) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL9943023 | 0.90 | CYP2C9 (0.52) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL9942967 | 0.89 | CYP2C9 (0.48) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL9901252 | 0.89 | CYP2C9 (0.48) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL14234672 | 0.87 | CYP2C9 (0.53) | CYP2C9KCNH2KCNE1CCR1KCNQ1 |
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-2012078834-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |