Itraconazole

Itraconazole

SCHEMBL23935

CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

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)

geneUniProtsupporting neighboursconfidence
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.

Compoundsimilaritytop predictedshared 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 SCHEMBL14875903 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL64913 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

Appears in 59062 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094963-A Cardioprotective lipids and methods of use 2026-05-26 CN claimed
CN-122090921-A Screening method and application of ATF3 and Importin alpha interaction inhibitor 2026-05-26 CN claimed
WO-2026107113-A1 MODIFIED CELLS FOR PROGRAMMING EXTRA ENVELOPED VIRUSES (EEVs) AND THEIR USE FOR PRODUCING THE EEVs, THE PROGRAMMED EEVs AND USES THEREOF CALIDI BIOTHERAPEUTICS (NEVADA), INC. (US) 2026-05-21 WO claimed
EP-4149415-B1 SHAMPOO COMPOSITION COMPRISING ALKYL GLUCOSIDE PROCTER & GAMBLE (US) 2026-05-20 EP claimed
EP-4744729-A2 METHODS OF TREATING GASTROINTESTINAL STROMAL TUMORS Deciphera Pharmaceuticals, LLC (US) 2026-05-20 EP claimed
US-12629363-B2 Prophylaxis and treatment of angioedema PHARVARIS GMBH (CH) 2026-05-19 US claimed
WO-2026102345-A1 METHODS OF ADMINISTERING THE VOLTAGE-GATED POTASSIUM CHANNEL OPENER AZETUKALNER XENON PHARMACEUTICALS INC. (CA) 2026-05-15 WO claimed
US-20260124224-A1 USE OF COMBINED COMPOSITION IN PREPARING DRUG FOR RESISTING FUNGAL AND BACTERIAL INFECTIONS NATIONAL CENTER FOR NANOSCIENCE AND TECHNOLOGY (CN) 2026-05-07 US claimed
EP-4735045-A2 OXAZAPHOSPHORINE ANTIBODY DRUG CONJUGATES AND METHODS OF USE La Life Products, LLC (US) 2026-05-06 EP claimed
EP-4736841-A1 A MUCOADHESIVE LAYER FOR BUCCAL ADMINISTRATION OF AN ACTIVE PHARMACEUTICAL INGREDIENT IQ medical GmbH (DE) 2026-05-06 EP claimed
US-4861580-A Composition using salt form of organic acid derivative of alpha-tocopheral THE LIPOSOME COMPANY, INC. (US) 1989-08-29 US claimed
EP-0310122-A1 Antifungal composition KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP claimed
EP-0243446-A4 ALPHA TOCOPHEROL-BASED VESICLES. LIPOSOME CO INC (US) 1988-06-23 EP claimed
EP-0222771-A4 STEROIDAL LIPOSOMES. LIPOSOME CORP (US) 1988-06-08 EP claimed
EP-0243446-A1 ALPHA TOCOPHEROL-BASED VESICLES. LIPOSOME CO INC (US) 1987-11-04 EP claimed
EP-0222771-A1 STEROIDAL LIPOSOMES THE LIPOSOME COMPANY, INC. (US) 1987-05-27 EP claimed
WO-1987002219-A1 ALPHA TOCOPHEROL-BASED VESICLES THE LIPOSOME COMPANY, INC. (US) 1987-04-23 WO claimed
WO-1986005977-A1 STEROIDAL LIPOSOMES THE LIPOSOME COMPANY, INC. (US) 1986-10-23 WO claimed
EP-0197571-A2 Novel derivatives of gamma-cyclodextrin JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-15 EP claimed
WO-1985002767-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DRUGS WHICH ARE INSTABLE OR SPARINGLY SOLUBLE IN WATER AND METHODS FOR THEIR PREPARATION JANSSEN PHARMACEUTICA N.V. (BE) 1985-07-04 WO claimed