Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Itraconzole. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.55 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.55 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.55 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.55 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.55 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.55 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.55 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.55 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.55 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.55 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.55 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.55 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 19/20 | 0.74 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.74 |
| ▸ | CYP8B1 | Q9UNU6 | 3/20 | 0.74 |
| ▸ | LMNA | P02545 | 3/20 | 0.74 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
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 | |
|---|---|---|---|---|
| Saperconazole SCHEMBL4023519 | 1.00 | CYP3A4 (0.74) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL12887924 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL1650334 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL29371736 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL4149722 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL65702 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL2615053 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Saperconazole SCHEMBL65701 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL17739437 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL10073778 | 0.95 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090088443-A1 | NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME | REMENAR JULIUS | 2009-04-02 | — | — | US | disclosed |
| EP-1511490-A4 | NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | EP | disclosed |
| US-7446107-B2 | Crystalline forms of conazoles and methods of making and using the same | TRANSFORM PHARMACEUTICALS, INC. (US) | 2008-11-04 | — | — | US | disclosed |
| EP-1718640-A4 | NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME | TRANSFORM PHARMACEUTICALS INC (US) | 2008-01-09 | — | — | EP | disclosed |
| US-20070293674-A1 | Novel Saperconazole Crystalline Forms and Related Processes, Pharmaceutical Compositions and Methods | TRANSFORM PHARMACEUTICALS, INC. (US) | 2007-12-20 | — | — | US | disclosed |
| EP-1742941-A1 | NOVEL SAPERCONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | Transform Pharmaceuticals, Inc. (US) | 2007-01-17 | — | — | EP | disclosed |
| EP-1718640-A1 | NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME | Transform Pharmaceuticals, Inc. (US) | 2006-11-08 | — | — | EP | disclosed |
| US-7078526-B2 | CIS-itraconazole crystalline forms and related processes, pharmaceutical compositions and methods | TRANSFORM PHARMACEUTICALS, INC. (US) | 2006-07-18 | — | — | US | disclosed |
| WO-2005118577-A1 | NOVEL SAPERCONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS, INC. (US) | 2005-12-15 | — | — | WO | disclosed |
| WO-2005092884-A1 | NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME | TRANSFORM PHARMACEUTICALS, INC. (US) | 2005-10-06 | — | — | WO | disclosed |
| US-20050070551-A1 | Novel crystalline forms of conazoles and methods of making and using the same | TRANSFORM PHARMACEUTICALS, INC. | 2005-03-31 | — | — | US | disclosed |
| EP-1511490-A2 | NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | Transform Pharmaceuticals, Inc. (US) | 2005-03-09 | — | — | EP | disclosed |
| US-20040019211-A1 | Novel conazole crystalline forms and related processes, pharmaceutical compositions and methods | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-01-29 | — | — | US | disclosed |
| WO-2003101392-A2 | NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS, INC. (US) | 2003-12-11 | — | — | 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 (4 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-20050070551-A1 | Novel crystalline forms of conazoles and methods of making and using the same | CYP51A1, CYP3A5, ERG28 | CHRM2 3416/4885ADRA2A 4494/4885ADRA2B 4224/4885 |
| US-20070293674-A1 | Novel Saperconazole Crystalline Forms and Related Processes, Pharmaceutical Compositions and Methods | CYP51A1, CYP3A5, CYP3A43 | CHRM2 3255/4885ADRA2A 4122/4885ADRA2B 3640/4885 |
| US-20090088443-A1 | NOVEL CRYSTALLINE FORMS OF CONAZOLES AND METHODS OF MAKING AND USING THE SAME | CYP51A1, CYP3A5, ERG28 | CHRM2 3416/4885ADRA2A 4494/4885ADRA2B 4224/4885 |
| US-20040019211-A1 | Novel conazole crystalline forms and related processes, pharmaceutical compositions and methods | CYP51A1, CYP3A5, CYP3A43 | CHRM2 3726/4885ADRA2A 4250/4885ADRA2B 3768/4885 |
“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.