Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.41 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28432478 | 0.92 | THRB (0.45) | ALOX15HSD17B10ALDH1A1TDP1THRB | |
| SCHEMBL30267558 | 0.92 | THRB (0.45) | ALOX15HSD17B10ALDH1A1TDP1THRB | |
| SCHEMBL28457819 | 0.89 | TDP1 (0.52) | ALOX15HSD17B10ALDH1A1TDP1TP53 | |
| SCHEMBL7799289 | 0.89 | TRPA1 (0.52) | ALOX15HSD17B10ALDH1A1TDP1TP53 | |
| SCHEMBL9618749 | 0.80 | THRB (0.51) | HSD17B10TDP1THRBTRPA1CYP1A2 | |
| SCHEMBL28424384 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TDP1SMN1; SMN2THRBCYP3A4 | |
| SCHEMBL19059655 | 0.77 | HSD17B10 (0.54) | ALOX15HSD17B10ALDH1A1TDP1TP53 | |
| SCHEMBL2068058 | 0.76 | PTPN22 (0.52) | HSD17B10ALDH1A1TDP1SMN1; SMN2CYP3A4 | |
| SCHEMBL29364830 | 0.76 | PTPN22 (0.52) | HSD17B10ALDH1A1TDP1SMN1; SMN2CYP3A4 | |
| SCHEMBL5349479 | 0.75 | CYP1A2 (0.50) | ALOX15HSD17B10ALDH1A1TDP1TP53 |
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-111423332-B | Method for splitting chiral compound | 上海科技大学 | 2023-02-10 | — | — | CN | disclosed |
| CN-111423332-A | Method for splitting chiral compound | 上海科技大学 | 2020-07-17 | — | — | CN | disclosed |