Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6959276 | 0.85 | TACR1 (0.45) | TACR1TACR3 | |
| SCHEMBL6959274 | 0.75 | TACR1 (0.55) | TACR1TACR3 | |
| SCHEMBL7476736 | 0.71 | TACR1 (0.49) | TACR1 | |
| SCHEMBL7487168 | 0.71 | TACR1 (0.49) | TACR1 | |
| SCHEMBL12488400 | 0.64 | CYP1A2 (0.40) | PTGDR2 | |
| SCHEMBL6286564 | 0.64 | TACR1 (0.60) | TACR1TACR3KCNH2 | |
| SCHEMBL6957734 | 0.64 | TACR1 (0.62) | TACR1TACR3 | |
| SCHEMBL6494192 | 0.63 | TACR1 (0.59) | TACR1TACR3 | |
| SCHEMBL6483982 | 0.63 | TACR1 (0.67) | TACR1TACR3 | |
| SCHEMBL6494539 | 0.63 | TACR1 (0.59) | TACR1TACR3 |
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 |