Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Posaconazole. 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 | 13/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 2/20 | 1.00 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 1.00 |
| ▸ | CYP17A1 | P05093 | 1/20 | 1.00 |
| ▸ | CYP19A1 | P11511 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | CYP11B1 | P15538 | 1/20 | 1.00 |
| ▸ | CYP11B2 | P19099 | 1/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | FYN | P06241 | 2/20 | 0.53 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Posaconazole SCHEMBL15180133 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL18857056 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL3959600 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL18496410 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL13575780 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL15948109 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL23871970 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL1455343 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL20930912 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Posaconazole SCHEMBL37449 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773941-B1 | TETRAHYDROFURAN ANTIFUNGALS | SCHERING CORP (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-0736030-B1 | TETRAHYDROFURAN ANTIFUNGALS | SCHERING CORP (US) | 2001-08-29 | — | — | EP | disclosed |
| US-5661151-A | Tetrahydrofuran antifungals | SCHERING CORPORATION (US) | 1997-08-26 | — | — | US | disclosed |