Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.64 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.64 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.64 |
| ▸ | PRCP | P42785 | 3/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.63 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.63 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.63 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.63 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.61 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.61 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8352332 | 0.96 | GRIN1 (0.59) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL8352792 | 0.94 | GRIN1 (0.62) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL23595716 | 0.94 | GRIN1 (0.62) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL8352151 | 0.94 | GRIN1 (0.56) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL8350799 | 0.92 | GRIN1 (0.59) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL8352401 | 0.85 | GRIN1 (0.49) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL22996149 | 0.85 | GRIN1 (0.46) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL8352789 | 0.84 | GRIN1 (0.47) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL8353445 | 0.83 | GRIN1 (0.46) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 | |
| SCHEMBL8352357 | 0.83 | GRIN1 (0.46) | GRIN1GRIN2AGRIN2BPRCPSIGMAR1 |
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 |