Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL8351046 | 0.96 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3HRH3HRH1 | |
| SCHEMBL8352677 | 0.95 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3HRH3HRH1 | |
| SCHEMBL8353945 | 0.87 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3HSD11B1MEN1 | |
| SCHEMBL8351474 | 0.83 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3HSD11B1MEN1 | |
| SCHEMBL8353270 | 0.83 | HRH3 (0.50) | SLC6A2SLC6A4SLC6A3HRH3HRH1 | |
| SCHEMBL16521003 | 0.81 | SLC6A4 (0.65) | SLC6A2SLC6A4SLC6A3HRH3HSD11B1 | |
| SCHEMBL16507131 | 0.80 | SLC6A4 (0.55) | SLC6A2SLC6A4SLC6A3HRH3HRH1 | |
| SCHEMBL12386 | 0.79 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3HSD11B1MEN1 | |
| Hydrochloric Acid SCHEMBL16507084 | 0.79 | SLC6A4 (0.63) | SLC6A2SLC6A4SLC6A3HRH3HRH1 | |
| SCHEMBL8351057 | 0.79 | HRH3 (0.50) | SLC6A2SLC6A4SLC6A3HRH3HRH1 |
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 |