Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.59 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | PPME1 | Q9Y570 | 5/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | APEH | P13798 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3968076 | 0.81 | MET (0.47) | RAPGEF4TRIM24TRIM33PPME1ATM | |
| SCHEMBL14397867 | 0.77 | FABP4 (0.52) | PPME1ATMFABP4APEHTSHR | |
| SCHEMBL5247297 | 0.76 | RAPGEF4 (0.60) | RAPGEF4TRIM24TRIM33PPME1APEH | |
| SCHEMBL1616366 | 0.76 | PPME1 (0.60) | TRIM24TRIM33PPME1ATMAPEH | |
| SCHEMBL26181018 | 0.76 | GAA (0.51) | ALDH1A1GAA | |
| SCHEMBL28736820 | 0.76 | RAPGEF4 (0.43) | RAPGEF4CTSGCMA1FABP4TSHR | |
| SCHEMBL2457308 | 0.75 | RAPGEF4 (0.58) | RAPGEF4TRIM24TRIM33PPME1APEH | |
| SCHEMBL15176061 | 0.74 | RAPGEF4 (1.00) | RAPGEF4CTSGCMA1FABP4TSHR | |
| SCHEMBL2460281 | 0.73 | TRIM24 (0.52) | TRIM24TRIM33PPME1ATMAPEH | |
| SCHEMBL3623011 | 0.71 | FABP4 (0.56) | RAPGEF4FABP4TSHRALDH1A1KDM4E |
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-117836297-A | (S) -1- (5- ((pyridin-3-yl) thio) pyrazin-2-yl) -4'H,6' H-spiro [ piperidine-4, 5 '-pyrrolo [1,2-B ] pyrazol ] -4' -amine derivatives and similar compounds as SHP2 inhibitors for the treatment of, for example, cancer | 国家化学成分收集和筛选中心 | 2024-04-05 | — | — | CN | disclosed |