Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 8/20 | 0.50 |
| ▸ | AXL | P30530 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31050025 | 1.00 | NOS1 (0.50) | NOS1AXLIDO1METAP2TRPA1 | |
| SCHEMBL767109 | 0.80 | NOS1 (0.55) | NOS1AXLIDO1METAP2TRPA1 | |
| SCHEMBL5412653 | 0.76 | NOS1 (0.50) | NOS1AXLIDO1METAP2DYRK1A | |
| SCHEMBL8047208 | 0.76 | NOS1 (0.50) | NOS1AXLIDO1METAP2TRPA1 | |
| SCHEMBL14631290 | 0.76 | NOS1 (0.50) | NOS1AXLIDO1METAP2TRPA1 | |
| SCHEMBL18038216 | 0.76 | NOS1 (0.50) | NOS1AXLIDO1METAP2DYRK1A | |
| SCHEMBL10172282 | 0.76 | NOS1 (0.50) | NOS1AXLIDO1METAP2TRPA1 | |
| SCHEMBL12321248 | 0.75 | NOS1 (0.56) | NOS1AXLIDO1METAP2TRPA1 | |
| SCHEMBL22967212 | 0.72 | NOS1 (0.46) | NOS1AXLIDO1TRPA1CDK2 | |
| SCHEMBL14804208 | 0.72 | NOS1 (0.46) | NOS1AXLIDO1METAP2TRPA1 |
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-2023169170-A1 | HETEROCYCLIC COMPOUND AS SHP2 INHIBITOR, COMPOSITION COMPRISING HETEROCYCLIC COMPOUND, AND METHOD USING SAME | 捷思英达控股有限公司 | 2023-09-14 | — | — | WO | disclosed |