Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13623996 | 0.78 | P2RX7 (0.45) | KMT2AALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL10200297 | 0.78 | ALDH1A1 (0.42) | KMT2AALDH1A1RAB9ASMN1; SMN2GSK3A | |
| SCHEMBL13624018 | 0.77 | PIK3CD (0.45) | ALDH1A1HPGDRAB9ASMN1; SMN2GSK3A | |
| SCHEMBL13624015 | 0.70 | ALDH1A1 (0.36) | KMT2AALDH1A1GSK3AGSK3B | |
| SCHEMBL13624040 | 0.68 | GRIN2B (0.48) | KMT2AMEN1RAB9ANPC1HSD11B1 | |
| SCHEMBL13624010 | 0.67 | P2RX7 (0.39) | KMT2AALDH1A1MEN1TDP1GAA | |
| SCHEMBL13624016 | 0.66 | P2RX7 (0.43) | KMT2AALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL20861305 | 0.64 | PDE4A (0.48) | KMT2AALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL11019763 | 0.64 | HSD11B1 (0.67) | KDM4EHPGDTDP1RAB9ASMN1; SMN2 | |
| SCHEMBL10895329 | 0.64 | HSD11B1 (0.67) | KDM4EHPGDTDP1RAB9ASMN1; SMN2 |
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 |