Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.73 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | ATIC | P31939 | 1/20 | 0.49 |
| ▸ | WDR5 | P61964 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2237042 | 0.86 | CYP19A1 (0.58) | CYP19A1CES1GAAALDH1A1ALOX15 | |
| SCHEMBL1596839 | 0.86 | HDAC3 (0.62) | CYP19A1GAAALDH1A1HTR6PGR | |
| SCHEMBL15652854 | 0.85 | HDAC3 (0.64) | CYP19A1GAAALDH1A1HDAC3HDAC4 | |
| SCHEMBL29571617 | 0.85 | L3MBTL1 (0.59) | CYP19A1GAAALDH1A1HTR6HDAC3 | |
| SCHEMBL1920369 | 0.85 | HDAC3 (0.64) | CYP19A1CES1GAAMAPTPGR | |
| SCHEMBL28379305 | 0.85 | L3MBTL1 (0.59) | CYP19A1GAAALDH1A1HTR6HDAC3 | |
| SCHEMBL2309454 | 0.84 | HDAC3 (0.65) | CYP19A1ALDH1A1HTR6PGRHDAC3 | |
| SCHEMBL20117512 | 0.81 | CYP19A1 (0.49) | CYP19A1ALDH1A1MAPTALOX15HDAC3 | |
| SCHEMBL29047607 | 0.81 | CYP19A1 (0.76) | CYP19A1GAAALDH1A1MAPTPGR | |
| SCHEMBL28263814 | 0.81 | CA2 (0.64) | ALDH1A1MAPTHDAC1 |
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-108947931-B | Thiazole amide compound, preparation method thereof, pharmaceutical composition and application | 中国科学院上海有机化学研究所 | 2023-07-07 | — | — | CN | disclosed |