Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | NPY2R | P49146 | 1/20 | 0.31 |
| ▸ | NPY4R | P50391 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7684286 | 1.00 | CA1 (0.38) | CA1CA2CA4CHRM2CHRM1 | |
| SCHEMBL7684293 | 1.00 | CA1 (0.38) | CA1CA2CA4CHRM2CHRM1 | |
| SCHEMBL1296115 | 0.87 | EPHX1 (0.41) | CHRM2CHRM1CHRM3EPHX1GAA | |
| SCHEMBL26460992 | 0.82 | EPHX1 (0.52) | CA1CA2CA4CHRM2CHRM1 | |
| SCHEMBL1296980 | 0.80 | BTK (0.44) | EPHX1GAABTK | |
| SCHEMBL1296390 | 0.80 | SLC6A2 (0.46) | CHRM2CHRM3EPHX1GAASLC6A2 | |
| SCHEMBL27551188 | 0.78 | EPHX1 (0.39) | CHRM2CHRM1CHRM3EPHX1GAA | |
| SCHEMBL20929031 | 0.78 | EPHX1 (0.37) | CHRM2CHRM1CHRM3EPHX1GAA | |
| SCHEMBL26461763 | 0.78 | MAPK1 (0.37) | CHRM2CHRM1CHRM3EPHX1GAA | |
| SCHEMBL1297808 | 0.78 | BTK (0.38) | CHRM2CHRM1CHRM3EPHX1GAA |
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-6372733-B1 | HEXAHYDRO-5-IMINO-3-ALKYL OR ISOALKYL-1,4-THIAZEPINE HYDROCHLORIDE OR ACETIC ACID SALTS; USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS, GASTROINTESTINAL DISORDERS AND INFLAMMATION | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |