Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.81 |
| ▸ | CYP21A2 | P08686 | 7/20 | 0.75 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.75 |
| ▸ | CYP17A1 | P05093 | 6/20 | 0.75 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.75 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.74 |
| ▸ | USP2 | O75604 | 2/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.74 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.74 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.74 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.74 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL11078787 | 1.00 | CYP3A4 (0.81) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11387669 | 0.97 | CYP3A4 (0.75) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11387666 | 0.97 | CYP3A4 (0.75) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL17739495 | 0.95 | CYP3A4 (0.90) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL20710056 | 0.95 | CYP3A4 (0.90) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL31330298 | 0.95 | CYP3A4 (0.90) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL20710020 | 0.95 | CYP3A4 (0.90) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL20710079 | 0.95 | CYP3A4 (0.90) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL17739444 | 0.95 | CYP3A4 (0.90) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL31330271 | 0.95 | CYP3A4 (0.90) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4490530-A | ANTIFUNGAL, ANTIBACTERIAL | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-12-25 | — | — | US | disclosed |
| EP-0006711-B1 | HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-10-26 | — | — | EP | disclosed |
| US-4368200-A | BACTERICIDES, FUNGICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-01-11 | — | — | US | disclosed |
| US-4267179-A | AS FUNGICIDES AND BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1981-05-12 | — | — | US | disclosed |
| EP-0006711-A1 | Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-01-09 | — | — | EP | disclosed |