Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CALCA | P06881 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL422140 | 0.89 | KCNH2 (0.50) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL52492 | 0.88 | KCNH2 (0.46) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL417695 | 0.85 | CYP2C9 (0.52) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL10143669 | 0.84 | CYP2C9 (0.54) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL10143829 | 0.84 | CYP2C9 (0.51) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL2634243 | 0.83 | KCNH2 (0.46) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL52281 | 0.82 | KCNH2 (0.43) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL10144300 | 0.82 | KCNH2 (0.49) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL52381 | 0.82 | KCNH2 (0.48) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL10144462 | 0.82 | KCNH2 (0.48) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280981-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |