Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15866841 | 0.96 | SLC6A4 (0.41) | SLC6A4SLC6A2L3MBTL1SLC6A3HSD11B1 | |
| SCHEMBL8353941 | 0.91 | L3MBTL1 (0.41) | SLC6A4SLC6A2L3MBTL1PRKAB2PRKAG1 | |
| SCHEMBL15356033 | 0.81 | PDE4A (0.48) | SLC6A4L3MBTL1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL17888243 | 0.81 | OPRM1 (0.50) | SLC6A3 | |
| SCHEMBL2321615 | 0.79 | ALDH1A1 (0.43) | SLC6A4SLC6A2L3MBTL1PRKAB2PRKAG1 | |
| SCHEMBL13106860 | 0.79 | MAOB (0.39) | SLC6A4SLC6A2L3MBTL1SLC6A3MAOA | |
| SCHEMBL17080542 | 0.79 | SLC6A4 (0.41) | SLC6A4SLC6A2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL8353188 | 0.79 | DPP4 (0.59) | SLC6A4SLC6A2SLC6A3MAOAMAOB | |
| SCHEMBL6014515 | 0.79 | ALDH1A1 (0.47) | SLC6A4SLC6A2L3MBTL1PRKAB2PRKAG1 | |
| SCHEMBL2129 | 0.79 | SLC6A4 (0.58) | SLC6A4SLC6A2PRKAB2PRKAG1PRKAA2 |
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-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |