Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 19/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.69 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.63 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL15246211 | 0.86 | NAMPT (0.76) | NAMPTCYP2C9HDAC1HDAC3HDAC2 | |
| SCHEMBL28954653 | 0.85 | NAMPT (0.78) | NAMPTCYP2C9HDAC1HDAC3HDAC2 | |
| SCHEMBL1647859 | 0.82 | NAMPT (0.71) | NAMPTCYP2C9HDAC1HDAC3HDAC2 | |
| SCHEMBL25002581 | 0.82 | NAMPT (1.00) | NAMPTCYP2C9HDAC1HDAC3HDAC2 | |
| SCHEMBL160706 | 0.80 | NAMPT (1.00) | NAMPTCYP2C9 | |
| SCHEMBL25002551 | 0.80 | HDAC2 (0.62) | HDAC1HDAC3HDAC2 | |
| SCHEMBL25002623 | 0.80 | NHERF1 (0.76) | HDAC1HDAC3HDAC2 | |
| SCHEMBL168504 | 0.79 | NAMPT (0.83) | NAMPTCYP2C9 | |
| SCHEMBL12468236 | 0.79 | NAMPT (0.84) | NAMPTCYP2C9 | |
| SCHEMBL16107639 | 0.79 | HDAC1 (0.72) | NAMPTCYP2C9HDAC1HDAC3HDAC2 |
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-2023011416-A1 | MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR | 中国海洋大学 | 2023-02-09 | — | — | WO | disclosed |