Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 3/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.35 |
| ▸ | BCR | P11274 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1320999 | 0.83 | KIF11 (0.41) | KIF11 | |
| SCHEMBL15825058 | 0.83 | ALOX5 (0.35) | ALOX5PDK2AKR1C2AKR1C1 | |
| SCHEMBL534316 | 0.83 | PTPN1 (0.37) | KIF11PDK2 | |
| SCHEMBL22683446 | 0.80 | AURKA (0.32) | AURKATPX2 | |
| SCHEMBL21052815 | 0.80 | TAAR1 (0.42) | — | |
| SCHEMBL15637648 | 0.72 | SCN10A (0.33) | — | |
| SCHEMBL622940 | 0.71 | GPR3 (0.41) | KIF11 | |
| SCHEMBL899948 | 0.71 | GPR3 (0.36) | — | |
| SCHEMBL3812590 | 0.70 | ALOX5 (0.50) | KIF11ESR1MEN1KMT2AAR | |
| SCHEMBL8102074 | 0.70 | ESR1 (0.50) | KIF11ESR1MEN1KMT2AALOX5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551797-A1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LTD. (GB) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004031137-A1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |