Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.75 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6483288 | 1.00 | TACR1 (0.75) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6484645 | 0.88 | TACR1 (0.70) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6481945 | 0.88 | TACR1 (0.70) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6481748 | 0.86 | TACR1 (1.00) | TACR1SLC6A4 | |
| SCHEMBL6482534 | 0.82 | TACR1 (0.64) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6482609 | 0.82 | TACR1 (0.64) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6482612 | 0.82 | TACR1 (0.64) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6482108 | 0.82 | TACR1 (0.74) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6482100 | 0.82 | TACR1 (0.74) | TACR1SLC6A4KCNH2 | |
| SCHEMBL6485102 | 0.81 | TACR1 (1.00) | TACR1SLC6A4KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6953792-B2 | Cyclohexyl derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |