Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8353218 | 0.93 | SLC6A4 (0.53) | SLC6A4SLC6A3SLC6A2CHRM2CHRM1 | |
| SCHEMBL8354041 | 0.84 | SLC6A4 (0.56) | SLC6A4SLC6A3SLC6A2CHRM2CHRM1 | |
| SCHEMBL8354121 | 0.84 | SLC6A4 (0.64) | SLC6A4SLC6A3SLC6A2OPRM1OPRL1 | |
| SCHEMBL8351060 | 0.81 | SLC6A4 (0.60) | SLC6A4SLC6A3SLC6A2CHRM2CHRM1 | |
| SCHEMBL14347765 | 0.80 | SLC6A4 (0.69) | SLC6A4SLC6A3SLC6A2OPRM1OPRL1 | |
| SCHEMBL8351751 | 0.80 | SLC6A4 (0.44) | SLC6A4SLC6A3SLC6A2CHRM2CHRM1 | |
| SCHEMBL8350208 | 0.79 | SLC6A4 (0.46) | SLC6A4SLC6A3SLC6A2CHRM2CHRM1 | |
| SCHEMBL16691393 | 0.79 | SLC6A4 (0.72) | SLC6A4SLC6A3SLC6A2OPRM1OPRL1 | |
| SCHEMBL8353193 | 0.78 | SLC6A4 (0.45) | SLC6A4SLC6A3SLC6A2OPRM1OPRL1 | |
| SCHEMBL8353946 | 0.77 | SLC6A4 (0.44) | SLC6A4SLC6A3SLC6A2 |
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 |