Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826430 | 0.83 | CYP2A6 (0.38) | ALDH1A1DPP4 | |
| SCHEMBL9226050 | 0.71 | DAO (0.45) | ALDH1A1DPP4 | |
| SCHEMBL6829494 | 0.71 | CYP2A6 (0.37) | ALDH1A1DPP4 | |
| SCHEMBL6075510 | 0.70 | IDO1 (0.52) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5366910 | 0.67 | ALDH1A1 (0.41) | ALDH1A1DPP4 | |
| SCHEMBL1133750 | 0.67 | APP (0.54) | ALDH1A1DPP4 | |
| SCHEMBL6829741 | 0.67 | ALDH1A1 (0.36) | ALDH1A1DPP4 | |
| SCHEMBL509618 | 0.67 | GAA (0.42) | ALDH1A1DPP4 | |
| SCHEMBL19980405 | 0.67 | HPGD (0.37) | DPP4 | |
| SCHEMBL18002807 | 0.66 | NFE2L2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |