Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | HCN1 | O60741 | 2/20 | 0.36 |
| ▸ | HCN4 | Q9Y3Q4 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9564351 | 0.84 | HCN1 (0.40) | HCN1HCN4TSHRCYP1A2CYP2D6 | |
| SCHEMBL9564411 | 0.78 | SCD (0.41) | CYP2E1CYP2A6CYP2B6HCN1HCN4 | |
| SCHEMBL12086022 | 0.75 | CYP2A6 (0.52) | CYP2E1CYP2A6CYP2B6PDGFRBPDGFRA | |
| SCHEMBL9564359 | 0.71 | HCN1 (0.39) | HCN1HCN4TSHRCYP1A2CYP2D6 | |
| SCHEMBL28930129 | 0.69 | NPC1 (0.70) | CYP2E1CYP2A6CYP2B6CYP1A2NOTUM | |
| SCHEMBL4145079 | 0.67 | CYP1A2 (0.45) | CYP2E1CYP2A6CYP2B6TSHRCYP1A2 | |
| SCHEMBL9564354 | 0.64 | FYN (0.47) | TSHRPDGFRAALDH1A1HDAC1 | |
| SCHEMBL4145075 | 0.64 | CYP2A6 (0.42) | CYP2E1CYP2A6CYP2B6PDGFRBPDGFRA | |
| SCHEMBL1179640 | 0.63 | ALDH1A1 (0.64) | ALDH1A1HDAC3HDAC1MAPTNPC1 | |
| SCHEMBL4136936 | 0.63 | NOTUM (0.62) | CYP2A6PDGFRBPDGFRAALDH1A1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0563686-A1 | Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation | BAYER AG (DE) | 1993-10-06 | — | — | EP | disclosed |