Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19992648 | 0.81 | HDAC2 (0.33) | ALDH1A1HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL3506197 | 0.78 | — | — | |
| SCHEMBL6224633 | 0.75 | — | — | |
| SCHEMBL2628903 | 0.74 | — | — | |
| SCHEMBL28037873 | 0.73 | KDM4E (0.32) | ALDH1A1CYP3A4CYP1A2GAACYP2C19 | |
| SCHEMBL5515923 | 0.69 | — | — | |
| SCHEMBL5521547 | 0.68 | HDAC2 (0.68) | ALDH1A1CYP3A4HDAC4HDAC2HDAC8 | |
| SCHEMBL5513200 | 0.67 | HDAC2 (0.66) | ALDH1A1CYP3A4HDAC4HDAC2HDAC8 | |
| SCHEMBL5517039 | 0.67 | HDAC2 (0.66) | ALDH1A1CYP3A4HDAC4HDAC2HDAC8 | |
| SCHEMBL3301677 | 0.64 | — | — |
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-105745193-A | Novel antifungal oxodihydropyridinecarbohydrazide derivative | 株式会社大熊制药 | 2016-07-06 | — | — | CN | disclosed |