Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 4/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9914806 | 0.85 | ERN1 (0.45) | HDAC4HDAC2HDAC8GSTP1GPR84 | |
| SCHEMBL31406988 | 0.84 | GSTP1 (0.57) | HDAC4HDAC2HDAC8GSTP1ERN1 | |
| SCHEMBL868484 | 0.84 | GSTP1 (0.57) | HDAC4HDAC2HDAC8GSTP1ERN1 | |
| SCHEMBL31406989 | 0.84 | GSTP1 (0.57) | HDAC4HDAC2HDAC8GSTP1ERN1 | |
| SCHEMBL28729423 | 0.81 | ERN1 (0.46) | HDAC4HDAC2HDAC8GSTP1GPR84 | |
| SCHEMBL29518280 | 0.81 | ERN1 (0.46) | HDAC4HDAC2HDAC8GSTP1GPR84 | |
| SCHEMBL12197265 | 0.81 | HDAC4 (0.44) | HDAC4HDAC2HDAC8GSTP1GPR84 | |
| SCHEMBL28387886 | 0.81 | HDAC4 (0.49) | HDAC4HDAC2HDAC8GSTP1GPR84 | |
| SCHEMBL28396806 | 0.80 | ERN1 (0.50) | HDAC4HDAC2HDAC8GSTP1GPR84 | |
| SCHEMBL10013781 | 0.80 | ERN1 (0.48) | HDAC4HDAC2HDAC8GSTP1GPR84 |
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-110002980-B | Method for catalyzing asymmetric naphthyl by palladium and application of method in synthesizing axial chiral biaryl aldehyde catalyst | 浙江大学 | 2020-05-26 | — | — | CN | disclosed |