Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Itraconazole. 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 | 19/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 3/20 | 1.00 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 1.00 |
| ▸ | FYN | P06241 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 2/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 2/20 | 1.00 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 1.00 |
| ▸ | CXCR1 | P25024 | 1/20 | 1.00 |
| ▸ | TACR1 | P25103 | 1/20 | 1.00 |
| ▸ | AVPR2 | P30518 | 1/20 | 1.00 |
| ▸ | CCR4 | P51679 | 1/20 | 1.00 |
| ▸ | PDE4D | Q08499 | 1/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.75 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.75 |
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 | |
|---|---|---|---|---|
| Itraconazole SCHEMBL14875797 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL16984893 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL14875705 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL18073409 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL23934 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL15948108 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL18241650 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL14875903 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL64913 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN | |
| Itraconazole SCHEMBL13575828 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2LMNACYP51A1FYN |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240207270-A1 | COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM | WAVEBREAK INC (US) | 2024-06-27 | — | — | US | disclosed |
| US-20240207270-A1 | COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM | WAVEBREAK INC (US) | 2024-06-27 | — | — | US | disclosed |
| CN-117903121-A | Synthesis method of itraconazole active ester | 上海现代哈森（商丘）药业有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117903121-A | Synthesis method of itraconazole active ester | 上海现代哈森（商丘）药业有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-116925052-A | Synthesis method of optically pure itraconazole | 上海现代哈森（商丘）药业有限公司 | 2023-10-24 | — | — | CN | disclosed |
| US-20220106302-A1 | ITRACONAZOLE ANALOGS AND USE THEREOF | THE JOHNS HOPKINS UNIVERSITY | 2022-04-07 | — | — | US | disclosed |
| US-20220022457-A1 | Microbicide Ammonium-Imidazolium Oligomers and Their Anti-Fungal Compositions | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2022-01-27 | — | — | US | disclosed |
| US-20190000772-A1 | INTRASITE ADMINISTRATION AND DOSING METHODS AND PHARMACEUTICALS FOR USE THEREIN | HKL Medical, LLC (US) | 2019-01-03 | — | — | US | disclosed |
| US-20180221296-A1 | INTRASITE ADMINISTRATION AND DOSING METHODS AND PHARMACEUTICALS FOR USE THEREIN | HKL Medical, LLC | 2018-08-09 | — | — | US | disclosed |
| US-20180221296-A1 | INTRASITE ADMINISTRATION AND DOSING METHODS AND PHARMACEUTICALS FOR USE THEREIN | HKL Medical, LLC | 2018-08-09 | — | — | US | disclosed |
| US-9970929-B2 | Voriconazole immunoassays | ARK DIAGNOSTICS, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| EP-2945942-B1 | VORICONAZOLE IMMUNOASSAYS | ARK DIAGNOSTICS INC (US) | 2018-05-09 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20220022457-A1 | Microbicide Ammonium-Imidazolium Oligomers and Their Anti-Fungal Compositions | ARG1, ARG2, ERG28 | CYP3A4 2464/4885ABCG2 2419/4885LMNA 4797/4885 |
| US-20220106302-A1 | ITRACONAZOLE ANALOGS AND USE THEREOF | CYP3A4, SHH, GLI1 | CYP3A4 1/4885ABCG2 27/4885LMNA 4875/4885 |
| US-20240207270-A1 | COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM | CPT2, PC, SREBF2 | CYP3A4 2670/4885ABCG2 1370/4885LMNA 2122/4885 |
| US-20180221296-A1 | INTRASITE ADMINISTRATION AND DOSING METHODS AND PHARMACEUTICALS FOR USE THEREIN | CD68, SEC62, ANTXR2 | CYP3A4 328/4885ABCG2 172/4885LMNA 1569/4885 |
| US-20190000772-A1 | INTRASITE ADMINISTRATION AND DOSING METHODS AND PHARMACEUTICALS FOR USE THEREIN | CD68, SEC62, ANTXR2 | CYP3A4 328/4885ABCG2 172/4885LMNA 1569/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.