Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.68 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7163593 | 0.83 | TACR1 (0.49) | TACR1FAAHKCNH2CCR2 | |
| SCHEMBL6953754 | 0.83 | TACR1 (0.54) | TACR1FAAHKCNH2CCR2 | |
| SCHEMBL6495512 | 0.81 | TACR1 (1.00) | TACR1KCNH2SLC6A4 | |
| SCHEMBL6483953 | 0.81 | TACR1 (1.00) | TACR1KCNH2SLC6A4 | |
| SCHEMBL6483957 | 0.81 | TACR1 (1.00) | TACR1KCNH2SLC6A4 | |
| SCHEMBL6485287 | 0.78 | TACR1 (0.66) | TACR1KCNH2SLC6A4CCR2 | |
| SCHEMBL7000788 | 0.75 | TACR1 (0.68) | TACR1KCNH2CCR2 | |
| SCHEMBL6965411 | 0.72 | TACR1 (0.57) | TACR1KCNH2CCR2 | |
| SCHEMBL6960087 | 0.71 | CYP3A4 (0.48) | TACR1FAAHHSD11B1 | |
| SCHEMBL6111263 | 0.71 | ALDH1A1 (0.47) | TACR1FAAHHSD11B1KCNH2 |
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 |