Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 6/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28296642 | 0.83 | SLC6A4 (0.37) | ITGB3ITGA2BSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16431365 | 0.65 | SIGMAR1 (0.50) | ALDH1A1HTR6KMT2ACHRM2CHRM1 | |
| SCHEMBL4529791 | 0.64 | POLB (0.49) | ITGB3ITGA2BALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL4529797 | 0.64 | POLB (0.49) | ITGB3ITGA2BALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL8915081 | 0.63 | MMP2 (0.56) | ITGB3ITGA2BALDH1A1CTSK | |
| SCHEMBL28461940 | 0.61 | TSHR (0.40) | ALDH1A1HTR6KMT2A | |
| Hydrochloric Acid SCHEMBL22322057 | 0.61 | LMNA (0.59) | SLC6A4HTR6CHRM2 | |
| SCHEMBL5565030 | 0.60 | MAPT (0.49) | SLC6A2SLC6A4KMT2A | |
| SCHEMBL8915393 | 0.60 | ALDH1A1 (0.51) | ITGB3ITGA2BALDH1A1HTTHTR6 | |
| SCHEMBL10378031 | 0.59 | ITGB3 (0.34) | ITGB3ITGA2B |
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-109824756-A | Contain 4-(benzenesulfonyl) phenylalanine derivative and the preparation method and application thereof of piperazine -2- ketone | 山东大学 | 2019-05-31 | — | — | CN | disclosed |