Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.65 |
| ▸ | CYP21A2 | P08686 | 7/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.59 |
| ▸ | CYP17A1 | P05093 | 6/20 | 0.59 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.58 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.58 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.58 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL10469273 | 1.00 | CYP3A4 (0.65) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL9666003 | 0.94 | CYP3A4 (0.72) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL10467678 | 0.94 | CYP3A4 (0.72) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL10468219 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL9663818 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL16402934 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL9664951 | 0.89 | CYP3A4 (0.72) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL17739438 | 0.89 | CYP3A4 (0.72) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11078787 | 0.89 | CYP3A4 (0.81) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11078785 | 0.89 | CYP3A4 (0.81) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0283992-B1 | 4-[4-[4-[4-[[2-(2,4-Difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]triazolones | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |
| US-4916134-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACUETICA N.V. (BE) | 1990-04-10 | — | — | US | disclosed |
| EP-0283992-A2 | 4-[4-[4-[4-[[2-(2,4-Difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]triazolones | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-09-28 | — | — | EP | disclosed |