Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | CASP6 | P55212 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | PTPRA | P18433 | 1/20 | 0.48 |
| ▸ | PTPRB | P23467 | 1/20 | 0.48 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL479266 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL29370096 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL6827272 | 0.98 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL8012867 | 0.98 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL9186253 | 0.98 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL2899953 | 0.88 | HSD17B10 (0.50) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL2899556 | 0.88 | HSD17B10 (0.50) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL31255683 | 0.87 | CASP6 (0.58) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL429785 | 0.87 | CASP6 (0.58) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 | |
| SCHEMBL15851417 | 0.86 | CA2 (0.42) | ALDH1A1HSD17B10CASP6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112384225-B | Application of edible azo dye brilliant black BN in inhibiting infectivity of human enteroviruses causing hand-foot-mouth disease | 淡马锡生命科学实验室有限公司 | 2024-06-14 | — | — | CN | claimed |
| US-20250002453-A1 | PHARMACEUTICALLY ACCEPTABLE SALT OF ELIGLUSTAT AND CRYSTAL FORM THEREOF | SPEROGENIX SHANGHAI MEDTECH CO LTD (CN) | 2025-01-02 | — | — | US | disclosed |
| CN-107848992-B | Method for chemically synthesizing substituted 10H-phenothiazine-3, 7-diamine compound | 维斯塔实验室有限公司 | 2022-05-31 | — | — | CN | disclosed |