Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 15/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL6958838 | 0.90 | HTT (0.53) | HTTACHETACR1CHRM5CHRM1 | |
| SCHEMBL6964788 | 0.89 | HTT (0.54) | HTTACHETACR1CHRM5CHRM1 | |
| SCHEMBL6965223 | 0.85 | HTT (0.51) | HTTACHETACR1CHRM5CHRM1 | |
| SCHEMBL6962588 | 0.82 | HTT (0.49) | HTTACHETACR1 | |
| SCHEMBL6957247 | 0.73 | HTT (0.47) | HTTTACR1 | |
| SCHEMBL4560442 | 0.68 | HTT (0.63) | HTTACHECHRM5CHRM1CHRM3 | |
| SCHEMBL5269885 | 0.65 | HTT (0.47) | HTTACHE | |
| SCHEMBL18930513 | 0.64 | HTT (0.73) | HTTACHESLC6A4 | |
| SCHEMBL9716647 | 0.63 | HTT (0.74) | HTTACHECHRM3 | |
| SCHEMBL4969869 | 0.63 | HTT (0.63) | HTTACHECHRM3 |
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-1286978-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087866-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |