Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | 0.85 | GRIN2B (0.48) | P2RX7GRIN2BMEN1KMT2ARAB9A | |
| SCHEMBL10200297 | 0.83 | ALDH1A1 (0.42) | P2RX7ALDH1A1KMT2AGSK3BGSK3A | |
| SCHEMBL13624016 | 0.81 | P2RX7 (0.43) | P2RX7ALDH1A1GRIN2BKDM4EMEN1 | |
| SCHEMBL13624015 | 0.80 | ALDH1A1 (0.36) | P2RX7ALDH1A1GRIN2BKMT2AGSK3B | |
| SCHEMBL13624018 | 0.80 | PIK3CD (0.45) | P2RX7ALDH1A1HPGDGSK3BGSK3A | |
| SCHEMBL26984284 | 0.78 | P2RX7 (0.50) | P2RX7ALDH1A1MEN1KMT2ANFKB1 | |
| SCHEMBL13624017 | 0.78 | KMT2A (0.40) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3341365 | 0.77 | P2RX7 (0.52) | P2RX7ALDH1A1MEN1KMT2ANFKB1 | |
| SCHEMBL3343887 | 0.77 | P2RX7 (0.52) | P2RX7ALDH1A1MEN1KMT2ANFKB1 | |
| SCHEMBL13624010 | 0.76 | P2RX7 (0.39) | P2RX7ALDH1A1GRIN2BMEN1KMT2A |
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 |