Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13624015 | 0.84 | ALDH1A1 (0.36) | P2RX7ALDH1A1KMT2AGRIN2BLMNA | |
| SCHEMBL13624016 | 0.80 | P2RX7 (0.43) | P2RX7MAPTPOLBMEN1ALDH1A1 | |
| SCHEMBL13624040 | 0.77 | GRIN2B (0.48) | P2RX7MEN1KMT2AGRIN2B | |
| SCHEMBL13623996 | 0.76 | P2RX7 (0.45) | P2RX7MEN1ALDH1A1KMT2AGRIN2B | |
| SCHEMBL10200297 | 0.74 | ALDH1A1 (0.42) | P2RX7MAPTALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL13624018 | 0.71 | PIK3CD (0.45) | P2RX7MAPTALDH1A1L3MBTL1LMNA | |
| SCHEMBL13624017 | 0.67 | KMT2A (0.40) | MAPTMEN1ALDH1A1GAAKMT2A | |
| SCHEMBL13634013 | 0.64 | PSEN1 (0.41) | MAPTMEN1KMT2A | |
| SCHEMBL4349642 | 0.62 | P2RX7 (0.53) | P2RX7POLBALDH1A1 | |
| SCHEMBL21597925 | 0.61 | HTR1A (0.53) | MEN1ALDH1A1KMT2AL3MBTL1DDB1 |
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 |