Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6883692 | 0.86 | POLB (0.51) | ALDH1A1PGRGAAPTGS1MAPK1 | |
| SCHEMBL28823408 | 0.79 | MEN1 (0.45) | CD44ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL10607470 | 0.79 | PTPN1 (0.54) | CD44ALDH1A1GAAPTGS1MAPK1 | |
| SCHEMBL7195412 | 0.78 | ALDH1A1 (0.48) | ALDH1A1PGRGAAPTGS1MAPK1 | |
| SCHEMBL5515138 | 0.77 | TSHR (0.46) | ALDH1A1PGRGAAPTGS1MAPK1 | |
| SCHEMBL28309434 | 0.75 | ACHE (0.47) | CD44ALDH1A1GAAMAPK1HSD17B10 | |
| SCHEMBL6614700 | 0.74 | CTSD (0.58) | ALDH1A1GAAPTGS1HSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL29175087 | 0.74 | ACHE (0.46) | CD44ALDH1A1GAAMAPK1HSD17B10 | |
| SCHEMBL7816179 | 0.72 | P2RX7 (0.54) | ALDH1A1MAPTKDM4ECTSDL3MBTL1 | |
| SCHEMBL16180681 | 0.72 | USP2 (0.43) | CD44ALDH1A1HSD17B10MAPTKDM4E |
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-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 |