Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Etaconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.85 |
| ▸ | THRB | P10828 | 1/20 | 0.85 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | FYN | P06241 | 2/20 | 0.56 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Propiconazole SCHEMBL11544981 | 0.94 | CYP3A4 (0.86) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL29386134 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL14884461 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL21043 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL14884463 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL23421942 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL14884464 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL14884462 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Etaconazole SCHEMBL29827140 | 0.92 | CYP3A4 (1.00) | CYP3A4THRBKDM4ELMNAFYN | |
| Nitric Acid SCHEMBL11273562 | 0.92 | CYP3A4 (0.71) | CYP3A4THRBKDM4ELMNAFYN |
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 |
|---|---|---|---|---|---|---|---|
| US-4160838-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-07-10 | — | — | US | disclosed |
| US-4079062-A | ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1978-03-14 | — | — | US | disclosed |