Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CALCA | P06881 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL52492 | 0.87 | KCNH2 (0.46) | KCNH2CYP2C9SMN1; SMN2L3MBTL1THRB | |
| SCHEMBL10143686 | 0.82 | CYP2C9 (0.55) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL51956 | 0.82 | KCNH2 (0.45) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL62969 | 0.81 | KCNH2 (0.47) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL2634091 | 0.81 | KCNH2 (0.45) | KCNH2CYP2C9SMN1; SMN2L3MBTL1THRB | |
| SCHEMBL63394 | 0.80 | KCNH2 (0.40) | KCNH2CYP2C9SMN1; SMN2L3MBTL1THRB | |
| SCHEMBL13255864 | 0.80 | CYP2C9 (0.54) | KCNH2CYP2C9SMN1; SMN2L3MBTL1THRB | |
| SCHEMBL64102 | 0.78 | KCNH2 (0.46) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL52461 | 0.78 | KCNH2 (0.49) | KCNH2CYP2C9SMN1; SMN2L3MBTL1ERCC1 | |
| SCHEMBL63098 | 0.77 | KCNH2 (0.47) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280981-B1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-04-23 | — | — | EP | disclosed |
| EP-2280981-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |