Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.48 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ASPH | Q12797 | 1/20 | 0.47 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL30379700 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL28260289 | 0.86 | EGFR (0.55) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL30379627 | 0.81 | CA12 (0.49) | CYP2D6ALDH1A1TSHRMAPK1HIF1A | |
| SCHEMBL21600940 | 0.81 | CA12 (0.49) | CYP2D6ALDH1A1TSHRMAPK1HIF1A | |
| SCHEMBL12578471 | 0.80 | HDAC3 (0.49) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL16982690 | 0.78 | KDM4E (0.56) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL21600856 | 0.78 | KDM4E (0.49) | ALDH1A1TSHRHSD17B10KDM4EGAA | |
| SCHEMBL30380072 | 0.78 | KDM4E (0.49) | ALDH1A1TSHRHSD17B10KDM4EGAA | |
| SCHEMBL21617379 | 0.78 | NPC1 (0.49) | CLK4TSHRHIF1ALMNAKDM4E | |
| SCHEMBL2478353 | 0.78 | KDM4E (0.57) | ALDH1A1LMNAKDM4EASPHKDM8 |
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 |