Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | HPGD | P15428 | 2/20 | 0.71 |
| ▸ | CA12 | O43570 | 1/20 | 0.71 |
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | CA3 | P07451 | 1/20 | 0.71 |
| ▸ | CA6 | P23280 | 1/20 | 0.71 |
| ▸ | CA5A | P35218 | 1/20 | 0.71 |
| ▸ | CA7 | P43166 | 1/20 | 0.71 |
| ▸ | CA9 | Q16790 | 1/20 | 0.71 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.71 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.71 |
| ▸ | MAOB | P27338 | 5/20 | 0.67 |
| ▸ | GAA | P10253 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2032914 | 0.84 | KDM4E (0.81) | KDM4EALDH1A1HPGDCA12CA1 | |
| SCHEMBL7527810 | 0.83 | ALDH1A1 (1.00) | KDM4EALDH1A1HPGDCA12CA1 | |
| SCHEMBL29963204 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1HPGDCA12CA1 | |
| SCHEMBL978456 | 0.83 | KDM4E (1.00) | KDM4EALDH1A1HPGDCA12CA1 | |
| SCHEMBL28703856 | 0.82 | MAOB (0.68) | CA12CA1CA2CA6CA5A | |
| SCHEMBL8310947 | 0.82 | TAS1R3 (0.59) | KDM4EALDH1A1HPGDCA12CA1 | |
| SCHEMBL6835643 | 0.82 | KDM4E (0.76) | KDM4EALDH1A1HPGDCA12CA1 | |
| SCHEMBL28690050 | 0.80 | MAOA (0.68) | KDM4ECA12CA1CA2CA3 | |
| SCHEMBL2031783 | 0.80 | MAOB (1.00) | KDM4EALDH1A1HPGDCA12CA1 | |
| SCHEMBL12838815 | 0.80 | KDM4E (1.00) | KDM4EALDH1A1HPGDCA12CA1 |
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-108774277-B | Thiazole derivative containing glucosamine and coumarin molecules, and preparation method and application thereof | 淮海工学院 | 2021-12-21 | — | — | CN | disclosed |
| CN-108558843-B | Coumarin-triazole-isatin type compound and preparation method and application thereof | 贵州医科大学 | 2020-12-15 | — | — | CN | disclosed |