Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 7/20 | 0.52 |
| ▸ | MAOA | P21397 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HPD | P32754 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29047378 | 0.85 | MAOB (0.43) | MAOBMAOARAB9ATDP1NPC1 | |
| SCHEMBL9383521 | 0.78 | MAOA (0.51) | MAOBMAOACYP3A4ALOX15HPD | |
| Cyclohexane SCHEMBL8149682 | 0.71 | TSHR (0.83) | TSHR | |
| SCHEMBL6649336 | 0.70 | TSHR (0.65) | TSHRCYP3A4ALOX15 | |
| SCHEMBL5670271 | 0.70 | SLC6A3 (0.47) | TSHRALDH1A1HPGDDHODH | |
| SCHEMBL809809 | 0.69 | KMT2A (0.48) | MAOBMAOATSHRCYP3A4ALOX15 | |
| SCHEMBL3501723 | 0.69 | MAOB (1.00) | MAOBMAOARAB9ANPC1ALDH1A1 | |
| SCHEMBL5311581 | 0.69 | TSHR (1.00) | TSHRCYP2C19ALDH1A1 | |
| SCHEMBL27380 | 0.69 | TSHR (1.00) | TSHRCYP2C19ALDH1A1 | |
| SCHEMBL3660167 | 0.68 | TSHR (0.48) | MAOBMAOATSHRHPDMAPT |
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-116535299-A | SGLT2 inhibitor intermediate V-1 and application thereof | 江苏万邦生化医药集团有限责任公司 | 2023-08-04 | — | — | CN | disclosed |