Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | CALCA | P06881 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1150992 | 0.90 | CYP2C9 (0.55) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL5764975 | 0.90 | CYP2C9 (0.55) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL13114611 | 0.80 | CYP2C9 (0.53) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1150809 | 0.80 | CYP2C9 (0.53) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1150873 | 0.80 | CYP2C9 (0.53) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL5764090 | 0.79 | KCNH2 (0.48) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1150490 | 0.79 | KCNH2 (0.48) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL2206920 | 0.78 | CYP2C9 (0.66) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1150527 | 0.77 | CYP2C9 (0.62) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1149987 | 0.77 | CYP2C9 (0.62) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441735-A1 | N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2004-08-04 | — | — | EP | claimed |
| WO-2003035077-A1 | N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | WO | claimed |