Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347878 | 0.97 | CHRM2 (0.47) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14347820 | 0.93 | CHRM2 (0.39) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8353947 | 0.89 | KCNH2 (0.42) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8351710 | 0.83 | CHRM2 (0.37) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8354041 | 0.83 | SLC6A4 (0.56) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8354603 | 0.83 | SLC6A4 (0.44) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL8351751 | 0.82 | SLC6A4 (0.44) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4453585 | 0.81 | CHRM2 (0.62) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14347875 | 0.79 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8351060 | 0.79 | SLC6A4 (0.60) | CHRM2CHRM1SLC6A2SLC6A4SLC6A3 |
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 |