Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 19/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 14/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL4379342 | 0.99 | KIF11 (0.54) | KIF11KCNH2CASP3 | |
| SCHEMBL4038431 | 0.83 | KIF11 (0.66) | KIF11KCNH2 | |
| SCHEMBL6532616 | 0.83 | KIF11 (0.66) | KIF11KCNH2 | |
| SCHEMBL4374480 | 0.82 | KIF11 (0.66) | KIF11KCNH2CASP3 | |
| Iodide SCHEMBL5182650 | 0.82 | KIF11 (0.65) | KIF11KCNH2 | |
| SCHEMBL13634117 | 0.76 | KIF11 (0.82) | KIF11KCNH2 | |
| SCHEMBL13624046 | 0.76 | KIF11 (0.82) | KIF11KCNH2 | |
| SCHEMBL4374455 | 0.73 | KIF11 (0.79) | KIF11KCNH2 | |
| SCHEMBL4059852 | 0.72 | KIF11 (0.69) | KIF11KCNH2 | |
| SCHEMBL14262984 | 0.72 | KIF11 (0.68) | KIF11KCNH2 |
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-7622489-B2 | Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-dihydro-1N-pyrrol-1-carboxamide | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-7622489-B2 | Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-dihydro-1N-pyrrol-1-carboxamide | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |