Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28296644 | 0.83 | ITGB3 (0.36) | SLC6A4SLC6A2SLC6A3ITGB3ITGA2B | |
| SCHEMBL4529791 | 0.80 | POLB (0.49) | SLC6A4SLC6A2SLC6A3ITGB3ITGA2B | |
| SCHEMBL4529797 | 0.80 | POLB (0.49) | SLC6A4SLC6A2SLC6A3ITGB3ITGA2B | |
| SCHEMBL25386615 | 0.70 | POLB (0.56) | POLBCYP1A2 | |
| SCHEMBL30118318 | 0.70 | TGFBR1 (0.36) | OPRD1ITGB3ITGA2BSIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL22322057 | 0.68 | LMNA (0.59) | SLC6A4OPRD1SIGMAR1HTR6CYP1A2 | |
| SCHEMBL29733381 | 0.68 | SLC7A5 (0.55) | POLBCYP1A2CYP2C9 | |
| SCHEMBL5565030 | 0.67 | MAPT (0.49) | SLC6A4SLC6A2POLBCYP1A2CYP2D6 | |
| SCHEMBL3399085 | 0.67 | ALOX15 (0.62) | POLBACE | |
| SCHEMBL3399088 | 0.67 | ALOX15 (0.62) | POLBACE |
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 2 patents. 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 | claimed |
| 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 |