Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CNR2 | P34972 | 2/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL157266 | 0.84 | HTT (0.63) | HTTALDH1A1CNR2CNR1ACHE | |
| SCHEMBL2724136 | 0.83 | HTT (0.71) | HTTALDH1A1CNR2CNR1ACHE | |
| SCHEMBL8303697 | 0.83 | HTT (0.61) | HTTALDH1A1CNR2CNR1ACHE | |
| SCHEMBL3482861 | 0.82 | HTT (0.65) | HTTALDH1A1GLATSHRCNR2 | |
| SCHEMBL8303367 | 0.82 | HTT (0.52) | HTTALDH1A1CNR2CNR1ACHE | |
| SCHEMBL4558490 | 0.81 | HTT (0.55) | HTTALDH1A1GLATSHRACHE | |
| SCHEMBL20218939 | 0.80 | CNR2 (0.75) | HTTALDH1A1CNR2CNR1ACHE | |
| SCHEMBL17275267 | 0.80 | HTT (0.54) | HTTALDH1A1GLATSHRACHE | |
| SCHEMBL5085615 | 0.79 | CNR2 (0.53) | CNR2CNR1ACHECCR5 | |
| SCHEMBL2157917 | 0.79 | HTT (0.43) | HTTALDH1A1GLATSHRCNR2 |
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 |