Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 2/20 | 0.58 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | JAK1 | P23458 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22115157 | 0.94 | STS (0.64) | STSGPR119SMN1; SMN2KDM4EPKM | |
| SCHEMBL22115170 | 0.91 | STS (0.51) | STSGPR119SMN1; SMN2KDM4EPKM | |
| SCHEMBL22115171 | 0.83 | STS (0.60) | STSSMN1; SMN2HTTPTPN2PTPN1 | |
| SCHEMBL27309928 | 0.83 | NPSR1 (0.64) | STSGPR119KDM4EPKMGAA | |
| SCHEMBL30879864 | 0.83 | NPSR1 (0.64) | STSGPR119KDM4EPKMGAA | |
| SCHEMBL22115652 | 0.82 | STS (0.53) | STSGPR119KDM4EPKMPTPN2 | |
| SCHEMBL22622438 | 0.81 | ALDH1A1 (0.59) | STSSMN1; SMN2KDM4EPKMGAA | |
| SCHEMBL22089505 | 0.80 | STS (0.90) | STSGPR119KDM4EPKMJAK2 | |
| SCHEMBL28418216 | 0.80 | STS (0.90) | STSGPR119KDM4EPKMJAK2 | |
| SCHEMBL1317618 | 0.79 | PTPN2 (0.71) | STSGPR119KDM4EPKMPTPN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020119590-A1 | 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. | 中国科学院上海药物研究所 | 2020-06-18 | — | — | WO | disclosed |