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 SCHEMBL20464865 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130102614-A1 | CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS | JOHNS HOPKINS UNIVERSITY | 2013-04-25 | — | — | US | claimed |
| US-9095589-B2 | Chirally pure isomers of itraconazole for use as angiogenesis inhibitors | JOHNS HOPKINS UNIVERSITY (US) | 2015-08-04 | — | — | US | disclosed |
| US-9095589-B2 | Chirally pure isomers of itraconazole for use as angiogenesis inhibitors | JOHNS HOPKINS UNIVERSITY (US) | 2015-08-04 | — | — | US | disclosed |
| US-9095589-B2 | Chirally pure isomers of itraconazole for use as angiogenesis inhibitors | JOHNS HOPKINS UNIVERSITY (US) | 2015-08-04 | — | — | US | disclosed |
| WO-2013155218-A1 | CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS | THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) | 2013-10-17 | — | — | WO | disclosed |
| US-20130102614-A1 | CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS | JOHNS HOPKINS UNIVERSITY | 2013-04-25 | — | — | US | disclosed |
| US-20130102614-A1 | CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS | JOHNS HOPKINS UNIVERSITY | 2013-04-25 | — | — | US | disclosed |
| US-20130102614-A1 | CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS | JOHNS HOPKINS UNIVERSITY | 2013-04-25 | — | — | US | 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-20130102614-A1 | CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS | TEK, KDR, FLT1 | CYP3A4 567/4885ABCG2 163/4885LMNA 4600/4885 |
“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.