Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | HTR1A | P08908 | 4/20 | 0.49 |
| ▸ | HTR1D | P28221 | 4/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD5 | P21918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7319406 | 0.93 | CA2 (0.54) | CA2HTR1AHTR1DMTNR1AOPRM1 | |
| SCHEMBL1567983 | 0.86 | CA2 (0.60) | CA2HTR1AHTR1DMTNR1ADRD2 | |
| SCHEMBL4935025 | 0.86 | CA2 (0.60) | CA2HTR1AHTR1DDRD2DRD4 | |
| SCHEMBL7310834 | 0.85 | HTR1A (0.61) | HTR1AMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL1385775 | 0.84 | MTNR1A (0.62) | CA2HTR1AHTR1DMTNR1AMTNR1B | |
| SCHEMBL1380267 | 0.84 | MTNR1A (0.62) | CA2HTR1AHTR1DMTNR1AMTNR1B | |
| SCHEMBL1380270 | 0.84 | MTNR1A (0.62) | CA2HTR1AHTR1DMTNR1AMTNR1B | |
| SCHEMBL23195321 | 0.83 | CA2 (0.58) | CA2HTR1AHTR1DDRD2DRD4 | |
| Cycloheptane SCHEMBL8317003 | 0.83 | CA2 (0.58) | CA2HTR1AHTR1DDRD2DRD4 | |
| SCHEMBL30152355 | 0.83 | CA2 (0.58) | CA2HTR1AHTR1DDRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6646136-B1 | Chemical intermediates for CNS drugs | MERCK PATENT GMBH (DE) | 2003-11-11 | — | — | US | claimed |
| EP-1140890-B1 | CHROMAN DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-02-26 | — | — | EP | claimed |