Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | PRCP | P42785 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL971398 | 0.92 | GRIN2D (0.33) | HSD17B10SMN1; SMN2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL6817054 | 0.87 | — | — | |
| SCHEMBL6816896 | 0.86 | — | — | |
| SCHEMBL766819 | 0.86 | — | — | |
| SCHEMBL700844 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL19619135 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1139884 | 0.75 | ALDH1A1 (0.38) | SMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6919467 | 0.60 | — | — | |
| SCHEMBL5849028 | 0.59 | — | — | |
| SCHEMBL6050886 | 0.59 | PRCP (0.39) | GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105263933-B | A kind of simultaneously [1,2 a] benzazolyl compounds and preparation method thereof and the application in medicine of pyrazine | 埃斯蒂维实验室股份有限公司 | 2017-12-22 | — | — | CN | claimed |
| CN-105263933-A | Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments | ESTEVE LABOR DR | 2016-01-20 | — | — | CN | claimed |
| CN-105263933-B | A kind of simultaneously [1,2 a] benzazolyl compounds and preparation method thereof and the application in medicine of pyrazine | 埃斯蒂维实验室股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-104302639-B | Piperazine-piperidine compounds as hepatitis C virus inhibitors | 施万生物制药研发IP有限责任公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-105263933-A | Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments | ESTEVE LABOR DR | 2016-01-20 | — | — | CN | disclosed |