Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGT1 | P19440 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 5/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19221370 | 1.00 | GGT1 (0.43) | GGT1ALDH1A1ARG1ARG2BLM | |
| SCHEMBL26778212 | 1.00 | GGT1 (0.43) | GGT1ALDH1A1ARG1ARG2BLM | |
| Hydrochloric Acid SCHEMBL4529726 | 0.98 | GGT1 (0.42) | GGT1ALDH1A1ARG1ARG2BLM | |
| SCHEMBL2787473 | 0.78 | — | — | |
| SCHEMBL29709600 | 0.78 | — | — | |
| SCHEMBL30023683 | 0.77 | DGAT1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2788526 | 0.76 | GGT1 (0.43) | GGT1ALDH1A1ARG1ARG2BLM | |
| SCHEMBL31207721 | 0.75 | TSHR (0.36) | ALDH1A1FYNADRA1ATSHRCYP2D6 | |
| SCHEMBL12128131 | 0.75 | TSHR (0.46) | ALDH1A1FYNADRA1ATSHRCYP2D6 | |
| SCHEMBL6859457 | 0.75 | CYP2C9 (0.39) | ALDH1A1FYNADRA1ATSHRCYP2D6 |
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-115232109-A | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2022-10-25 | — | — | CN | disclosed |