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 | 0.70 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.70 |
| ▸ | MAPT | P10636 | 3/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.70 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.70 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.70 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.70 |
| ▸ | FYN | P06241 | 2/20 | 0.70 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.70 |
| ▸ | TACR1 | P25103 | 1/20 | 0.70 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.70 |
| ▸ | CCR4 | P51679 | 1/20 | 0.70 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.70 |
| ▸ | CYP21A2 | P08686 | 4/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.61 |
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 SCHEMBL20547531 | 0.94 | CYP3A4 (0.61) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Itraconazole SCHEMBL1058775 | 0.93 | CYP3A4 (0.80) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Itraconazole SCHEMBL28208896 | 0.92 | CYP3A4 (0.83) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Itraconazole SCHEMBL6129429 | 0.92 | CYP3A4 (0.83) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Ketoconazole SCHEMBL28209431 | 0.91 | CYP3A4 (0.73) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Itraconazole SCHEMBL4014593 | 0.91 | CYP3A4 (0.77) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Itraconazole SCHEMBL8849763 | 0.86 | CYP3A4 (0.90) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Posaconazole SCHEMBL20703831 | 0.85 | CYP3A4 (0.70) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Itraconazole SCHEMBL503873 | 0.85 | CYP3A4 (0.74) | CYP3A4ABCG2MAPTMAPK1LMNA | |
| Posaconazole SCHEMBL4726547 | 0.85 | CYP3A4 (0.71) | CYP3A4ABCG2MAPTMAPK1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008005802-A2 | NASAL FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID | CYDEX PHARMACEUTICALS, INC. (US) | 2008-01-10 | — | — | WO | claimed |
| EP-2173169-B1 | NASAL DELIVERY OF AQUEOUS CORTICOSTEROID SOLUTIONS | CYDEX PHARMACEUTICALS INC (US) | 2014-05-21 | — | — | EP | disclosed |
| EP-2173169-A1 | NASAL AND OPHTHALMIC DELIVERY OF AQUEOUS CORTICOSTEROID SOLUTIONS | CyDex Pharmaceuticals, Inc. (US) | 2010-04-14 | — | — | EP | disclosed |
| US-20090312724-A1 | Nasal and Ophthalmic Delivery of Aqueous Corticosteroid Solutions | CYDEX PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| WO-2009003199-A1 | NASAL AND OPHTHALMIC DELIVERY OF AQUEOUS CORTICOSTEROID SOLUTIONS | CYDEX PHARMACEUTICALS, INC. (US) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008005802-A2 | NASAL FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID | CYDEX PHARMACEUTICALS, INC. (US) | 2008-01-10 | — | — | WO | disclosed |
| EP-1427831-A4 | YEAST MEMBRANE PROTEIN EXPRESSION SYSTEM AND ITS APPLICATION IN DRUG SCREENING | UNIV OTAGO (NZ) | 2006-04-26 | — | — | EP | disclosed |
| EP-1427831-A1 | YEAST MEMBRANE PROTEIN EXPRESSION SYSTEM AND ITS APPLICATION IN DRUG SCREENING | The University of Otago (NZ) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003018817-A1 | YEAST MEMBRANE PROTEIN EXPRESSION SYSTEM AND ITS APPLICATION IN DRUG SCREENING | UNIVERSITY OF OTAGO (NZ) | 2003-03-06 | — | — | WO | 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 (1 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-20090312724-A1 | Nasal and Ophthalmic Delivery of Aqueous Corticosteroid Solutions | CRH, HRH1, IL5 | CYP3A4 2163/4885ABCG2 3386/4885MAPT 1791/4885 |
“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.