Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | MGAM | O43451 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | PPARD | Q03181 | 1/20 | 0.55 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.52 |
| ▸ | DRD3 | P35462 | 4/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | HPGDS | O60760 | 2/20 | 0.51 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | PREP | P48147 | 1/20 | 0.48 |
| ▸ | PLD2 | O14939 | 1/20 | 0.48 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29222038 | 1.00 | HDAC3 (0.61) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL2639346 | 0.86 | MGAM (0.56) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL2639342 | 0.86 | PPARD (0.57) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL10242977 | 0.83 | HDAC3 (0.61) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL6237473 | 0.83 | MGAM (0.65) | HDAC3HDAC1MGAMHDAC2BCAT1 | |
| SCHEMBL7209315 | 0.82 | MGAM (0.59) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL14387543 | 0.82 | HDAC3 (0.55) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL5020897 | 0.82 | HDAC3 (0.61) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL20656769 | 0.81 | NPC1 (0.65) | HDAC3HDAC1MGAMHDAC2PPARD | |
| SCHEMBL5309154 | 0.81 | MGAM (0.62) | HDAC3HDAC1MGAMHDAC2PPARD |
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-117886748-A | Quinoline amino acid conjugate and preparation method and application thereof | 天津科技大学 | 2024-04-16 | — | — | CN | disclosed |