Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.48 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.48 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.48 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.48 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.48 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9535545 | 0.90 | FFAR4 (0.50) | GPBAR1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL9532926 | 0.88 | PTGS1 (0.54) | GPBAR1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL9533383 | 0.82 | GPBAR1 (0.51) | GPBAR1FFAR4GHSRGABRA5 | |
| SCHEMBL9533421 | 0.80 | SCN9A (0.49) | GPBAR1PTGS2GHSR | |
| SCHEMBL9538504 | 0.79 | GPBAR1 (0.53) | GPBAR1CYP2C19SMN1; SMN2 | |
| SCHEMBL9534675 | 0.78 | GPBAR1 (0.44) | GPBAR1FFAR4SMN1; SMN2GABRA5 | |
| SCHEMBL9536053 | 0.75 | SCN9A (0.53) | GPBAR1GHSRSMN1; SMN2 | |
| SCHEMBL27749853 | 0.75 | PTGS1 (0.55) | GPBAR1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL5777434 | 0.72 | FFAR4 (0.66) | GPBAR1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL9535220 | 0.70 | GHSR (0.51) | GPBAR1GHSR |
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-0573883-A1 | Utilization of 3 substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives against endoparasites new 3-substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives and process for their preparation | BAYER AG (DE) | 1993-12-15 | — | — | EP | disclosed |