Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 10/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 5/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6965223 | 0.89 | HTT (0.51) | HTTTACR1 | |
| SCHEMBL6964788 | 0.75 | HTT (0.54) | HTTTACR1 | |
| SCHEMBL6958838 | 0.74 | HTT (0.53) | HTTTACR1 | |
| SCHEMBL6964535 | 0.73 | HTT (0.52) | HTTTACR1 | |
| SCHEMBL6621794 | 0.72 | TACR1 (0.49) | TACR1 | |
| SCHEMBL6962588 | 0.71 | HTT (0.49) | HTTTACR1NR1H4 | |
| SCHEMBL5215277 | 0.70 | TACR1 (0.40) | TACR1 | |
| SCHEMBL12464234 | 0.68 | CPB1 (0.48) | HTTNR1H4SERPINE1HDAC1HDAC8 | |
| SCHEMBL5549685 | 0.68 | CFTR (0.46) | HTTNR1H4HDAC1HDAC8HDAC6 | |
| SCHEMBL12464430 | 0.67 | CPB1 (0.47) | NR1H4HDAC1HDAC8HDAC6HDAC5 |
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 |