Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 5/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | MMP2 | P08253 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14619788 | 1.00 | ALDH1A1 (0.69) | ALDH1A1POLBKCNA5CA2CA9 | |
| SCHEMBL28868017 | 0.93 | ALDH1A1 (0.60) | ALDH1A1POLBKCNA5CA2CA9 | |
| SCHEMBL28427228 | 0.93 | ALDH1A1 (0.60) | ALDH1A1POLBKCNA5CA2CA9 | |
| SCHEMBL29259803 | 0.91 | CNR1 (0.60) | ALDH1A1POLBCA2CA9CA12 | |
| SCHEMBL29222887 | 0.91 | ALDH1A1 (0.58) | ALDH1A1POLBCA2CA9CA12 | |
| SCHEMBL3759433 | 0.89 | ALDH1A1 (0.73) | ALDH1A1POLBCA2CA9CA12 | |
| SCHEMBL28426090 | 0.89 | ALDH1A1 (0.73) | ALDH1A1POLBCA2CA9CA12 | |
| Hydrochloric Acid SCHEMBL8123779 | 0.87 | ALDH1A1 (0.71) | ALDH1A1POLBCA2CA9CA12 | |
| SCHEMBL20021998 | 0.86 | ALDH1A1 (0.69) | ALDH1A1POLBCA2CA9CA12 | |
| SCHEMBL29260156 | 0.85 | ALDH1A1 (0.52) | ALDH1A1POLBCA2CA9CA12 |
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-111233716-B | Preparation method of nickel-catalyzed alpha-deuterated chiral sulfonamide compound | 山东师范大学 | 2022-04-15 | — | — | CN | disclosed |
| CN-111233716-A | Preparation method of α -deuterated chiral sulfonamide compound under catalysis of nickel | 山东师范大学 | 2020-06-05 | — | — | CN | disclosed |