Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 8/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.46 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 1/20 | 0.45 |
| ▸ | STK17B | O94768 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.43 |
| ▸ | IGF2BP2 | Q9Y6M1 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28923987 | 1.00 | LDHA (0.50) | LDHAHSD17B1HSD17B2DHODHCSNK2A2 | |
| SCHEMBL29742864 | 0.86 | RXRA (0.49) | LDHAHSD17B1HSD17B2MRGPRX4RXRA | |
| SCHEMBL28634234 | 0.86 | RXRA (0.49) | LDHAHSD17B1HSD17B2MRGPRX4RXRA | |
| SCHEMBL29742784 | 0.83 | HSD17B1 (0.67) | HSD17B1HSD17B2RXRARXRB | |
| SCHEMBL28635415 | 0.83 | HSD17B1 (0.67) | HSD17B1HSD17B2RXRARXRB | |
| SCHEMBL5515377 | 0.81 | KMO (0.56) | DHODHCSNK2A2CSNK2BMRGPRX4AURKA | |
| SCHEMBL938500 | 0.80 | KMO (0.52) | HSD17B1HSD17B2DHODH | |
| SCHEMBL505417 | 0.80 | RXRA (0.61) | DHODHCSNK2A2CSNK2BAURKATPX2 | |
| SCHEMBL29784241 | 0.80 | RXRA (0.61) | DHODHCSNK2A2CSNK2BAURKATPX2 | |
| SCHEMBL24952187 | 0.78 | ALDH1A1 (0.57) | LDHARXRARXRB |
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-113444081-B | Thiadiazole carboxamide compounds and application thereof | 浙江大学 | 2022-07-05 | — | — | CN | disclosed |