Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | 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 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13633239 | 0.84 | P2RX7 (0.48) | P2RX7MAPTHTTTMEM97SIGMAR1 | |
| SCHEMBL20449200 | 0.83 | P2RX7 (0.49) | P2RX7PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3159251 | 0.83 | P2RX7 (0.49) | P2RX7PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL13634008 | 0.81 | MITF (0.40) | P2RX7MITFMAPTHTTPSEN1 | |
| SCHEMBL2724266 | 0.81 | P2RX7 (0.42) | P2RX7MITFMAPTHTTPSEN1 | |
| SCHEMBL20703481 | 0.80 | PKM (0.47) | P2RX7PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL31462845 | 0.80 | MAPT (0.47) | P2RX7MITFMAPTHTTPSEN1 | |
| SCHEMBL13624016 | 0.79 | P2RX7 (0.43) | P2RX7MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL2706680 | 0.78 | P2RX7 (0.47) | P2RX7PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3159372 | 0.76 | PSEN1 (0.43) | 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 |