Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL839038 | 0.88 | FAAH (0.53) | FAAHCXCR4KDM4EDRD2DRD3 | |
| SCHEMBL13940602 | 0.84 | FAAH (0.51) | FAAHCXCR4KDM4EDRD2DRD3 | |
| SCHEMBL3671476 | 0.79 | FAAH (0.43) | FAAHPARP1TDP1CYP2D6 | |
| SCHEMBL839624 | 0.79 | FAAH (0.46) | FAAHCXCR4KDM4EDRD2DRD3 | |
| SCHEMBL31372331 | 0.78 | CXCR4 (0.77) | FAAHCXCR4KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL29462386 | 0.78 | FAAH (0.54) | FAAHCXCR4KDM4EDRD2DRD3 | |
| SCHEMBL5255062 | 0.78 | FAAH (0.54) | FAAHCXCR4KDM4EDRD2DRD3 | |
| SCHEMBL838783 | 0.78 | FAAH (0.51) | FAAHCXCR4KDM4EDRD2DRD3 | |
| SCHEMBL5253618 | 0.78 | FAAH (0.54) | FAAHCXCR4KDM4EDRD2DRD3 | |
| SCHEMBL465778 | 0.78 | CXCR4 (0.77) | FAAHCXCR4KDM4ESMN1; SMN2ALDH1A1 |
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-104744519-B | Ring expansion N-heterocyclic carbine palladium compound containing picolyl | 河南工业大学 | 2017-10-24 | — | — | CN | disclosed |
| CN-104744519-A | Ring enlargement azoheterocyclic carbene-palladium compound containing picolyl | UNIV HENAN TECHNOLOGY | 2015-07-01 | — | — | CN | disclosed |