Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
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 | 0.91 | KDM4E (0.36) | KDM4EALDH1A1TDP1PDE9AL3MBTL1 | |
| SCHEMBL28793466 | 0.82 | PDE9A (0.33) | KDM4EALDH1A1TDP1PDE9AL3MBTL1 | |
| SCHEMBL28945530 | 0.80 | PTPN11 (0.32) | KDM4EALDH1A1TDP1HPGDKMT2A | |
| SCHEMBL20400081 | 0.79 | RET (0.35) | KDM4EALDH1A1TDP1L3MBTL1HPGD | |
| SCHEMBL28793472 | 0.78 | PTPN11 (0.36) | KMT2AMEN1PTPN11 | |
| SCHEMBL28693976 | 0.77 | PTPN11 (0.37) | PDE9APTPN11 | |
| SCHEMBL23500613 | 0.76 | JAK3 (0.35) | KDM4EALDH1A1PDE9AL3MBTL1KMT2A | |
| SCHEMBL20399587 | 0.75 | RET (0.46) | JAK3BTK | |
| SCHEMBL20417988 | 0.75 | JAK3 (0.36) | KDM4EALDH1A1L3MBTL1KMT2AMEN1 | |
| SCHEMBL30561130 | 0.75 | RET (0.46) | JAK3BTK |
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 |