Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13634013 | 0.87 | PSEN1 (0.41) | MITFMAPTHTTPSEN1PSEN2 | |
| SCHEMBL13634012 | 0.81 | P2RX7 (0.45) | MITFMAPTHTTP2RX7PSEN1 | |
| SCHEMBL20449200 | 0.79 | P2RX7 (0.49) | P2RX7PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3159251 | 0.79 | P2RX7 (0.49) | P2RX7PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL13633239 | 0.79 | P2RX7 (0.48) | MAPTHTTP2RX7 | |
| SCHEMBL13624010 | 0.78 | P2RX7 (0.39) | MAPTP2RX7 | |
| SCHEMBL3159372 | 0.77 | PSEN1 (0.43) | MITFMAPTHTTPSEN1PSEN2 | |
| SCHEMBL3167642 | 0.77 | PTGDR2 (0.44) | P2RX7 | |
| SCHEMBL31462845 | 0.76 | MAPT (0.47) | MITFMAPTHTTP2RX7PSEN1 | |
| SCHEMBL757756 | 0.76 | HTR2C (0.53) | MITFMAPTHTTPSEN1PSEN2 |
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 |