Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | CCR2 | P41597 | 5/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6497384 | 0.82 | TACR1 (0.81) | TACR1KCNH2CCR2 | |
| SCHEMBL6960087 | 0.78 | CYP3A4 (0.48) | TACR1 | |
| SCHEMBL6953754 | 0.78 | TACR1 (0.54) | TACR1KCNH2CCR2 | |
| Hydrochloric Acid SCHEMBL6963690 | 0.77 | CYP3A4 (0.47) | — | |
| SCHEMBL6111263 | 0.75 | ALDH1A1 (0.47) | TACR1KCNH2 | |
| SCHEMBL7000788 | 0.73 | TACR1 (0.68) | TACR1KCNH2CCR2 | |
| SCHEMBL6963883 | 0.73 | TACR1 (0.49) | TACR1KCNH2CCR2CCR5 | |
| SCHEMBL7163593 | 0.72 | TACR1 (0.49) | TACR1KCNH2CCR2 | |
| SCHEMBL6484601 | 0.72 | TACR1 (1.00) | TACR1KCNH2CCR2 | |
| SCHEMBL6492360 | 0.72 | TACR1 (1.00) | TACR1KCNH2CCR2 |
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 |