Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.39 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL9946240 | 0.79 | EPHX1 (0.46) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL19042271 | 0.76 | EPHX1 (0.36) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL19042267 | 0.73 | CA1 (0.44) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL6333236 | 0.73 | — | — | |
| SCHEMBL12884491 | 0.73 | — | — | |
| SCHEMBL14562388 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL68618 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL19042275 | 0.72 | CA2 (0.50) | ALDH1A1NEK1CA2CA1 | |
| SCHEMBL1533859 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL6751563 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551797-B1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME (GB) | 2007-02-21 | — | — | EP | disclosed |
| 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 |