Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958175 | 0.81 | LMNA (0.41) | TACR1SLC6A4KCNH2LMNATACR3 | |
| SCHEMBL6963883 | 0.70 | TACR1 (0.49) | TACR1KCNH2 | |
| SCHEMBL11030929 | 0.70 | SLC6A3 (0.53) | SLC6A2SLC6A4LMNA | |
| SCHEMBL6495776 | 0.69 | TACR1 (0.42) | TACR1KCNH2TACR3 | |
| SCHEMBL4558509 | 0.67 | HDAC4 (0.51) | ALDH1A1LMNA | |
| SCHEMBL18742583 | 0.66 | THRB (0.47) | SLC6A2SLC6A4LMNA | |
| SCHEMBL43810 | 0.65 | AKR1C1 (0.68) | LMNA | |
| SCHEMBL6481951 | 0.65 | TACR1 (0.59) | TACR1KCNH2TACR3 | |
| SCHEMBL22817597 | 0.64 | CNR2 (0.58) | KDM4EALDH1A1 | |
| SCHEMBL22817603 | 0.64 | CNR2 (0.58) | KDM4EALDH1A1 |
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 |