Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SIRT6 | Q8N6T7 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28532037 | 0.90 | ALDH1A1 (0.36) | KDM4EALDH1A1HSD17B10MAPTKMT2A | |
| SCHEMBL28539777 | 0.86 | MAPT (0.40) | KDM4EALDH1A1MAPTKMT2AGAA | |
| SCHEMBL28537166 | 0.82 | L3MBTL3 (0.36) | — | |
| SCHEMBL28526640 | 0.77 | KDM4E (0.45) | KDM4EALDH1A1HSD17B10ADRA2CHRH4 | |
| SCHEMBL28751702 | 0.76 | MAPT (0.55) | KDM4EALDH1A1HSD17B10ADRA2CMAPT | |
| SCHEMBL28392012 | 0.71 | CA1 (0.47) | ALDH1A1KMT2AGAAMEN1MAPK1 | |
| SCHEMBL28546191 | 0.70 | ALDH1A1 (0.39) | KDM4EALDH1A1MAPTKMT2AGAA | |
| SCHEMBL28388910 | 0.70 | NR1H4 (0.36) | KDM4EALDH1A1GAAMAPK1 | |
| SCHEMBL21596369 | 0.69 | GAA (0.50) | KDM4EALDH1A1HSD17B10MAPTKMT2A | |
| SCHEMBL28751714 | 0.68 | SIRT6 (0.70) | ALDH1A1MAPTMAPK1SIRT6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113087671-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-113087671-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-07-09 | — | — | CN | disclosed |
| CN-112313207-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-02-02 | — | — | CN | disclosed |