Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL13624040 | 0.83 | GRIN2B (0.48) | P2RX7NPC1RAB9AGRIN2BMEN1 | |
| SCHEMBL13623996 | 0.81 | P2RX7 (0.45) | P2RX7HPGDRAB9ASMN1; SMN2GRIN2B | |
| SCHEMBL13624010 | 0.80 | P2RX7 (0.39) | P2RX7GRIN2BPOLBMEN1ALDH1A1 | |
| SCHEMBL13634012 | 0.79 | P2RX7 (0.45) | P2RX7MEN1ALDH1A1KMT2AMAPT | |
| SCHEMBL10200297 | 0.73 | ALDH1A1 (0.42) | P2RX7RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL13624015 | 0.70 | ALDH1A1 (0.36) | P2RX7GRIN2BALDH1A1KMT2A | |
| SCHEMBL13624018 | 0.70 | PIK3CD (0.45) | P2RX7HPGDRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL13624017 | 0.66 | KMT2A (0.40) | HPGDNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL6378445 | 0.63 | KCNK3 (0.53) | HPGDNPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL4349642 | 0.61 | P2RX7 (0.53) | P2RX7POLBALDH1A1 |
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 |