Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.72 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.64 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.64 |
| ▸ | FYN | P06241 | 1/20 | 0.64 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.64 |
| ▸ | TACR1 | P25103 | 1/20 | 0.64 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.64 |
| ▸ | CCR4 | P51679 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.64 |
| ▸ | CYP21A2 | P08686 | 6/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9666003 | 1.00 | CYP3A4 (0.72) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| SCHEMBL10469273 | 0.94 | CYP3A4 (0.65) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| SCHEMBL9663446 | 0.94 | CYP3A4 (0.65) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| Itraconzole SCHEMBL4149722 | 0.89 | CYP3A4 (0.79) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| Itraconzole SCHEMBL1650334 | 0.89 | CYP3A4 (0.79) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| Itraconzole SCHEMBL65702 | 0.89 | CYP3A4 (0.79) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| Itraconzole SCHEMBL17739437 | 0.89 | CYP3A4 (0.79) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| Saperconazole SCHEMBL65701 | 0.89 | CYP3A4 (0.79) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| Itraconzole SCHEMBL2615053 | 0.89 | CYP3A4 (0.79) | CYP3A4MAPTMAPK1MEN1ABCB11 | |
| Itraconzole SCHEMBL12887924 | 0.89 | CYP3A4 (0.79) | CYP3A4MAPTMAPK1MEN1ABCB11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4916134-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACUETICA N.V. (BE) | 1990-04-10 | — | — | US | disclosed |