Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | POLR1A | O95602 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1879607 | 0.93 | KCNH2 (0.42) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL1875969 | 0.87 | CYP2C9 (0.50) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL12638607 | 0.87 | CYP2C9 (0.43) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL12511229 | 0.87 | CYP2C9 (0.43) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL1878309 | 0.86 | KDM4E (0.44) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL1883246 | 0.85 | L3MBTL1 (0.44) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL1878447 | 0.85 | KDM4E (0.44) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL1881737 | 0.85 | SMN1; SMN2 (0.47) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL1875135 | 0.84 | CYP2C9 (0.42) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 | |
| SCHEMBL1885166 | 0.84 | CYP2C9 (0.47) | SMN1; SMN2KCNE1CCR1KCNQ1KCNH2 |
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-7939537-B2 | HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-05-10 | — | — | US | claimed |
| EP-1937678-B1 | HIV INTEGRASE INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-07-27 | — | — | EP | disclosed |