Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | KDR | P35968 | 2/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.50 |
| ▸ | SYK | P43405 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | RAF1 | P04049 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21596356 | 0.82 | AURKA (0.51) | KDREGFRSYKRAB9ANPC1 | |
| SCHEMBL21596396 | 0.82 | AURKA (0.51) | ALDH1A1HPGDEGFRSYKRAB9A | |
| SCHEMBL30379929 | 0.82 | AURKA (0.51) | ALDH1A1HPGDEGFRSYKRAB9A | |
| SCHEMBL21596371 | 0.81 | AURKA (0.50) | KDREGFRSYKSLC2A1 | |
| SCHEMBL30379219 | 0.81 | AURKA (0.50) | KDREGFRSYKSLC2A1 | |
| SCHEMBL21596406 | 0.81 | SYK (0.57) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL18044981 | 0.79 | LRRK2 (0.49) | KDRSYK | |
| SCHEMBL21596343 | 0.77 | AURKA (0.72) | ALDH1A1MAPTKDREGFRSYK | |
| SCHEMBL30379364 | 0.77 | AURKA (0.72) | ALDH1A1MAPTKDREGFRSYK | |
| SCHEMBL21596310 | 0.76 | MEN1 (0.54) | KDM4EALDH1A1HPGDHSD17B10MAPT |
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-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 |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |