Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.74 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.74 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.74 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.74 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946735 | 1.00 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL18717337 | 0.91 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL26094039 | 0.91 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL6937751 | 0.90 | CYP3A4 (0.83) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL6377948 | 0.86 | CYP3A4 (0.95) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL3151 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5503188 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL29360276 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5597261 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL6378035 | 0.85 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 |
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 15 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 |
| EP-0610377-B1 | TRI-SUBSTITUTED TETRAHYDROFURAN ANTIFUNGALS | SCHERING CORP (US) | 2001-01-24 | — | — | EP | disclosed |
| US-5714490-A | 4-(4-(4-(-((5-(2,4-DIHALOPHENYL)--TETRAHYDRO-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)TETRAHYDROFUR-3-YL)METHOXY)PHENYL)-2,4-DIHYDRO-2-(MONO- OR DIHYDROXYALKYL)-3H-1,2,4-TRIAZOL-3-ONE; BROAD SPECTRUM; WATER SOLUBILITY; ASPERGILLUS; CANDIDA | SCHERING CORPORATION (US) | 1998-02-03 | — | — | US | disclosed |
| US-5710154-A | Tetrahydrofuran antifungals | SCHERING CORPORATION (US) | 1998-01-20 | — | — | US | disclosed |
| US-5703079-A | Tetrahydrofuran antifungals | SCHERING CORPORATION (US) | 1997-12-30 | — | — | US | disclosed |
| US-5698557-A | Hydroxy-substituted antifungals | SCHERING CORPORATION (US) | 1997-12-16 | — | — | US | disclosed |
| US-5693626-A | TREATING OR PREVENTING FUNGAL INFECTIONS BY ORAL OR PARENTERAL ADMINISTRATION | SCHERING CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |
| US-5661151-A | Tetrahydrofuran antifungals | SCHERING CORPORATION (US) | 1997-08-26 | — | — | US | disclosed |
| WO-1997000248-A1 | HYDROXYALKYL-SUBSTITUTED TRIAZOLONES ANTIFUNGALS | SCHERING CORPORATION (US) | 1997-01-03 | — | — | WO | disclosed |
| WO-1996038443-A1 | TETRAHYDROFURAN ANTIFUNGALS | SCHERING CORPORATION (US) | 1996-12-05 | — | — | WO | disclosed |
| WO-1995017407-A1 | TETRAHYDROFURAN ANTIFUNGALS | SCHERING CORPORATION (US) | 1995-06-29 | — | — | WO | disclosed |
| EP-0610377-A1 | TRI-SUBSTITUTED TETRAHYDROFURAN ANTIFUNGALS | SCHERING CORPORATION (US) | 1994-08-17 | — | — | EP | disclosed |
| WO-1993009114-A1 | TRI-SUBSTITUTED TETRAHYDROFURAN ANTIFUNGALS | SCHERING CORPORATION (US) | 1993-05-13 | — | — | WO | disclosed |
| EP-0539938-A1 | Tri-substituted tetrahydrofuran antifungals | SCHERING CORPORATION (US) | 1993-05-05 | — | — | EP | disclosed |