Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.68 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.68 |
| ▸ | CYP8B1 | Q9UNU6 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.68 |
| ▸ | FYN | P06241 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.68 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.68 |
| ▸ | TACR1 | P25103 | 1/20 | 0.68 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.68 |
| ▸ | CCR4 | P51679 | 1/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.68 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.64 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942513 | 1.00 | CYP3A4 (0.68) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| SCHEMBL12812069 | 0.93 | CYP3A4 (0.70) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL4023521 | 0.93 | CYP3A4 (0.74) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Saperconazole SCHEMBL4023519 | 0.93 | CYP3A4 (0.74) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL17739437 | 0.92 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL4149722 | 0.92 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL12887924 | 0.92 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL65702 | 0.92 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL1650334 | 0.92 | CYP3A4 (0.79) | CYP3A4ABCG2ABCB11CYP8B1LMNA | |
| Itraconzole SCHEMBL29371736 | 0.92 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583136-B1 | Broad-spectrum antifungal against which there is no existing resistance; Systemic fungal infections; | JANSSEN PHARMACUETICA N.V. (BE) | 2003-06-24 | — | — | US | disclosed |
| EP-1177192-B1 | ANTIFUNGAL ETHERS | JANSSEN PHARMACEUTICA NV (BE) | 2003-03-19 | — | — | EP | disclosed |
| EP-1077976-B1 | WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS | JANSSEN PHARMACEUTICA NV (BE) | 2002-08-07 | — | — | EP | disclosed |
| US-6384030-B1 | COMPOUNDS AS FUNGICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-05-07 | — | — | US | disclosed |
| EP-1077976-A1 | WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058530-A1 | WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-11-18 | — | — | WO | disclosed |
| EP-0957101-A1 | Water soluble azoles as broad-spectrum antifungals | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-11-17 | — | — | EP | disclosed |