Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | BCL9 | O00512 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | FABP7 | O15540 | 1/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20449200 | 0.87 | P2RX7 (0.49) | P2RX7TMEM97SIGMAR1NPSR1FABP7 | |
| SCHEMBL3159251 | 0.87 | P2RX7 (0.49) | P2RX7TMEM97SIGMAR1NPSR1FABP7 | |
| SCHEMBL20703481 | 0.85 | PKM (0.47) | P2RX7ALDH1A1LMNATMEM97SIGMAR1 | |
| SCHEMBL13634012 | 0.84 | P2RX7 (0.45) | P2RX7ALDH1A1MAPTHTTTMEM97 | |
| SCHEMBL2724266 | 0.82 | P2RX7 (0.42) | P2RX7MAPTHTTTMEM97SIGMAR1 | |
| SCHEMBL31462845 | 0.81 | MAPT (0.47) | P2RX7ALDH1A1MAPTHTTTMEM97 | |
| SCHEMBL2706680 | 0.80 | P2RX7 (0.47) | P2RX7TMEM97SIGMAR1FABP7FABP5 | |
| SCHEMBL3167642 | 0.79 | PTGDR2 (0.44) | P2RX7 | |
| SCHEMBL13634008 | 0.79 | MITF (0.40) | P2RX7MAPTHTT | |
| SCHEMBL13624040 | 0.78 | GRIN2B (0.48) | P2RX7 |
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 |