Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.36 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL10200297 | 0.82 | ALDH1A1 (0.42) | GSK3AGSK3BALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL13623996 | 0.80 | P2RX7 (0.45) | GSK3AGSK3BALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL13624017 | 0.77 | KMT2A (0.40) | GSK3AGSK3BALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL13624040 | 0.72 | GRIN2B (0.48) | RAB9AP2RX7 | |
| SCHEMBL13624015 | 0.72 | ALDH1A1 (0.36) | GSK3AGSK3BALDH1A1LMNAP2RX7 | |
| SCHEMBL13624010 | 0.71 | P2RX7 (0.39) | ALDH1A1L3MBTL1LMNAMAPTP2RX7 | |
| SCHEMBL12798882 | 0.70 | RAB9A (0.43) | PIK3CDGSK3AGSK3BALDH1A1L3MBTL1 | |
| SCHEMBL13624016 | 0.70 | P2RX7 (0.43) | ALDH1A1L3MBTL1SMN1; SMN2MAPTHPGD | |
| SCHEMBL3950503 | 0.65 | ALDH1A1 (0.33) | PIK3CDALDH1A1SMN1; SMN2P2RX7 | |
| SCHEMBL10200295 | 0.64 | ALDH1A1 (0.40) | GSK3AGSK3BALDH1A1L3MBTL1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |