Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.54 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28039604 | 0.98 | GRIN1 (0.53) | GRIN1GRIN2AOPRM1DRD4MEN1 | |
| SCHEMBL27461158 | 0.94 | GRIN1 (0.53) | GRIN1GRIN2AOPRM1DRD4MEN1 | |
| SCHEMBL27690833 | 0.87 | OPRM1 (0.53) | GRIN1GRIN2AOPRM1DRD4GRIN2B | |
| Piperazine SCHEMBL27433265 | 0.86 | GRIN1 (0.47) | GRIN1GRIN2AOPRM1DRD4MEN1 | |
| SCHEMBL4296257 | 0.78 | OPRM1 (0.44) | GRIN1GRIN2AOPRM1DRD4GRIN2B | |
| SCHEMBL30567984 | 0.77 | SLC6A4 (0.47) | GRIN1GRIN2ADRD4MEN1KMT2A | |
| SCHEMBL11678642 | 0.75 | GRIN1 (0.46) | GRIN1GRIN2AOPRM1DRD4MEN1 | |
| SCHEMBL2192079 | 0.75 | OPRM1 (0.55) | GRIN1GRIN2AOPRM1DRD4SLC6A2 | |
| SCHEMBL1637840 | 0.75 | OPRM1 (0.54) | GRIN1GRIN2AOPRM1DRD4SLC6A2 | |
| SCHEMBL17810250 | 0.75 | GRIN1 (0.46) | GRIN1GRIN2AOPRM1DRD4MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105820113-B | A kind of gram of azoles replaces the preparation method of Buddhist nun's chiral intermediate | 爱技特科技（北京）有限公司 | 2018-04-20 | — | — | CN | disclosed |