Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | RAD52 | P43351 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28526640 | 0.86 | KDM4E (0.45) | ALDH1A1MAPTKDM4EGAARAD52 | |
| SCHEMBL28532035 | 0.86 | KDM4E (0.39) | ALDH1A1MAPTKDM4EGAAGFER | |
| SCHEMBL28546189 | 0.83 | MAPT (0.47) | ALDH1A1MAPTGAACYP2D6MEN1 | |
| SCHEMBL28526624 | 0.83 | CYP2D6 (0.47) | CYP2D6MEN1CYP2C19KMT2ACHRM1 | |
| SCHEMBL21596410 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPTKDM4EGAARAD52 | |
| SCHEMBL28537165 | 0.79 | L3MBTL3 (0.36) | ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL28539777 | 0.79 | MAPT (0.40) | ALDH1A1MAPTKDM4EGAARAD52 | |
| SCHEMBL28910551 | 0.78 | CYP2D6 (0.38) | ALDH1A1MAPTGAARAD52GFER | |
| SCHEMBL21596314 | 0.75 | GAA (0.58) | MAPTKDM4EGAARAD52GFER | |
| SCHEMBL21596398 | 0.73 | ABL1 (0.39) | ALDH1A1MAPTKDM4EGAARAD52 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112313207-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 | 2023-02-14 | — | — | 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 |