Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE9A | O76083 | 11/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.32 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 2/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28793429 | 0.89 | KDM4E (0.36) | PDE9APTPN11KDM4EMAPTMAPK1 | |
| SCHEMBL28693976 | 0.82 | PTPN11 (0.37) | PDE9APTPN11 | |
| SCHEMBL28793458 | 0.82 | KDM4E (0.38) | PDE9APTPN11KDM4EMAPTMAPK1 | |
| SCHEMBL23500912 | 0.79 | RET (0.34) | PTPN11MAPT | |
| SCHEMBL23508886 | 0.76 | RET (0.45) | — | |
| SCHEMBL29118290 | 0.75 | HRH3 (0.35) | PTPN11 | |
| SCHEMBL28779210 | 0.74 | PTPN11 (0.33) | PTPN11 | |
| SCHEMBL23500613 | 0.74 | JAK3 (0.35) | PDE9AKDM4EL3MBTL1CNR2ALDH1A1 | |
| SCHEMBL2401956 | 0.73 | KDM4E (0.35) | KDM4EMAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL2402597 | 0.72 | NR1H2 (0.47) | PTPN11ATM |
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 |
|---|---|---|---|---|---|---|---|
| CN-114829362-A | Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor | 成都倍特药业股份有限公司 | 2022-07-29 | — | — | CN | disclosed |