Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.57 |
| ▸ | CYP8B1 | Q9UNU6 | 3/20 | 0.57 |
| ▸ | FYN | P06241 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL10468284 | 1.00 | CYP3A4 (0.57) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL1723212 | 0.88 | CYP3A4 (0.45) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL9662019 | 0.88 | CYP3A4 (0.62) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL10469043 | 0.88 | CYP3A4 (0.62) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL9663688 | 0.87 | CYP3A4 (0.75) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL10671949 | 0.87 | CYP3A4 (0.75) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL14765304 | 0.87 | CYP3A4 (0.75) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL10468938 | 0.87 | CYP3A4 (0.63) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL10468936 | 0.87 | CYP3A4 (0.63) | CYP3A4ABCG2LMNACYP51A1ABCB11 | |
| SCHEMBL9664951 | 0.86 | CYP3A4 (0.72) | CYP3A4ABCG2LMNACYP51A1ABCB11 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741737-B1 | WATERSOLUBLE AZOLE ANTIFUNGALS | JANSSEN PHARMACEUTICA NV (BE) | 1999-11-10 | — | — | EP | disclosed |
| 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 |
| EP-0228125-B1 | Novel derivatives of [[4-[4-(4-phenyl-1-piperazinyl)phenoxymethyl]-1,3-dioxolan-2-yl]methyl]-1H-imidazoles and 1H-1,2,4-triazoles | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-03-18 | — | — | EP | disclosed |
| US-4916134-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACUETICA N.V. (BE) | 1990-04-10 | — | — | US | disclosed |
| US-4791111-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1988-12-13 | — | — | 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 |
| EP-0228125-A1 | Novel derivatives of [[4-[4-(4-phenyl-1-piperazinyl)phenoxymethyl]-1,3-dioxolan-2-yl]methyl]-1H-imidazoles and 1H-1,2,4-triazoles | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-07-08 | — | — | EP | disclosed |