Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.51 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | METAP1 | P53582 | 1/20 | 0.47 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.47 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.46 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CSNK1D | P48730 | 7/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 6/20 | 0.44 |
| ▸ | CSNK1G2 | P78368 | 5/20 | 0.44 |
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL621778 | 0.98 | PIN1 (0.53) | PIN1METAP2METAP1PKN1PKN2 | |
| SCHEMBL3983234 | 0.87 | PIN1 (0.48) | PIN1METAP2METAP1PKN1PKN2 | |
| SCHEMBL708539 | 0.85 | MAPKAPK2 (0.60) | PIN1METAP2METAP1PKN1PKN2 | |
| SCHEMBL19094557 | 0.83 | MAPKAPK2 (0.46) | PIN1METAP2METAP1PKN1PKN2 | |
| SCHEMBL2619124 | 0.77 | MAPKAPK2 (0.50) | PIN1METAP2METAP1MAPKAPK2RPS6KA3 | |
| SCHEMBL29201525 | 0.76 | GABRA1 (0.46) | PIN1MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL19094567 | 0.76 | NOS3 (0.40) | PIN1MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL9228663 | 0.74 | MAPKAPK2 (0.50) | METAP2METAP1MAPKAPK2RPS6KA3CSNK2A1 | |
| SCHEMBL12178204 | 0.74 | MAPKAPK2 (0.74) | METAP2MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL706055 | 0.74 | MAPKAPK2 (0.50) | METAP2METAP1MAPKAPK2RPS6KA3CSNK2A1 |
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-108976174-B | Preparation method of 3-trifluoromethyl quinoxalinone compound | 河北工业大学 | 2021-08-03 | — | — | CN | disclosed |