Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6492399 | 1.00 | TACR1 (0.42) | TACR1KCNH2SLC6A4TACR3 | |
| SCHEMBL6492394 | 1.00 | TACR1 (0.42) | TACR1KCNH2SLC6A4TACR3 | |
| SCHEMBL6484245 | 0.83 | TACR1 (0.42) | TACR1KCNH2SLC6A4 | |
| SCHEMBL6484240 | 0.83 | TACR1 (0.42) | TACR1KCNH2SLC6A4 | |
| SCHEMBL6492048 | 0.78 | TACR1 (0.46) | TACR1KCNH2SLC6A4TACR3 | |
| SCHEMBL6492051 | 0.78 | TACR1 (0.46) | TACR1KCNH2SLC6A4TACR3 | |
| SCHEMBL6485012 | 0.76 | TACR1 (0.47) | TACR1KCNH2SLC6A4 | |
| SCHEMBL6496791 | 0.72 | TACR1 (0.43) | TACR1KCNH2SLC6A4 | |
| SCHEMBL8923334 | 0.72 | TACR1 (0.57) | TACR1KCNH2SLC6A4 | |
| Hydrochloric Acid SCHEMBL8922068 | 0.71 | TACR1 (0.56) | TACR1KCNH2SLC6A4 |
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 |