Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5253685 | 0.67 | ALDH1A1 (0.38) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL22189756 | 0.65 | ALDH1A1 (0.41) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL22499169 | 0.64 | ALDH1A1 (0.40) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL5253688 | 0.63 | TSHR (0.43) | ALDH1A1TSHRMAPTHPGDLMNA | |
| Propionamide SCHEMBL9545062 | 0.60 | ALDH1A1 (0.59) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL608774 | 0.58 | ALDH1A1 (1.00) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL4859251 | 0.58 | ALDH1A1 (0.61) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL3377117 | 0.57 | ALDH1A1 (0.59) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL27914451 | 0.57 | ALDH1A1 (0.59) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL11546473 | 0.57 | ALDH1A1 (0.54) | ALDH1A1F2PRSS1PRSS2PRSS3 |
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 |