Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CALCA | P06881 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13661699 | 1.00 | CYP2C9 (0.56) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL87854 | 0.85 | CYP2C9 (0.58) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL13661700 | 0.85 | KCNH2 (0.50) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL87288 | 0.82 | KCNH2 (0.44) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL13691714 | 0.79 | CYP2C9 (0.52) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL2205290 | 0.78 | CYP2C9 (0.58) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL13691688 | 0.78 | CYP2C9 (0.51) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1375850 | 0.78 | KCNH2 (0.58) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL13691813 | 0.78 | CYP2C9 (0.51) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL13691733 | 0.78 | CYP2C9 (0.47) | CYP2C9KCNH2MAPTLMNAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |