Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.86 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.86 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.86 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.86 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.86 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.86 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.86 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.86 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.86 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.86 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | FYN | P06241 | 2/20 | 0.61 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.61 |
| ▸ | TACR1 | P25103 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Sch-49999 SCHEMBL12691338 | 1.00 | CYP3A4 (0.86) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| Sch-49999 SCHEMBL13109475 | 1.00 | CYP3A4 (0.86) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| Sch-49999 SCHEMBL7896596 | 1.00 | CYP3A4 (0.86) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| Sch-49999 SCHEMBL7893705 | 1.00 | CYP3A4 (0.86) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| Sch-49999 SCHEMBL9567874 | 1.00 | CYP3A4 (0.86) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| Sch-49999 SCHEMBL13415260 | 1.00 | CYP3A4 (0.86) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| Sch-49999 SCHEMBL7885610 | 1.00 | CYP3A4 (0.86) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| SCHEMBL7891903 | 0.94 | CYP3A4 (0.85) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| SCHEMBL18593498 | 0.94 | CYP3A4 (0.85) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 | |
| SCHEMBL12812070 | 0.94 | CYP3A4 (0.85) | CYP3A4ABCG2ABCB11CYP8B1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |