Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 16/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6964535 | 0.90 | HTT (0.52) | HTTTACR1ACHESLC6A4CHRM5 | |
| SCHEMBL6964788 | 0.88 | HTT (0.54) | HTTTACR1ACHECHRM5CHRM1 | |
| SCHEMBL6965223 | 0.86 | HTT (0.51) | HTTTACR1ACHESLC6A4CHRM5 | |
| SCHEMBL6962588 | 0.83 | HTT (0.49) | HTTTACR1ACHE | |
| SCHEMBL6957247 | 0.74 | HTT (0.47) | HTTTACR1 | |
| SCHEMBL4560442 | 0.69 | HTT (0.63) | HTTACHECHRM5CHRM1CHRM3 | |
| SCHEMBL5269885 | 0.65 | HTT (0.47) | HTTACHE | |
| SCHEMBL1432538 | 0.65 | GPBAR1 (0.50) | TACR1SLC6A4CHRM5 | |
| SCHEMBL18930513 | 0.64 | HTT (0.73) | HTTACHESLC6A4 | |
| SCHEMBL9716647 | 0.64 | HTT (0.74) | 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 |