Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.53 |
| ▸ | FYN | P06241 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7457867 | 1.00 | CYP3A4 (0.53) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL9040015 | 0.92 | CYP3A4 (0.57) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10559942 | 0.88 | CYP3A4 (0.69) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10559937 | 0.88 | CYP3A4 (0.69) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL7812077 | 0.86 | CYP3A4 (0.55) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10499386 | 0.86 | CYP3A4 (0.56) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10499381 | 0.86 | CYP3A4 (0.56) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| Hydrochloric Acid SCHEMBL7457083 | 0.84 | CYP3A4 (0.52) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL9662019 | 0.84 | CYP3A4 (0.62) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10469043 | 0.84 | CYP3A4 (0.62) | CYP3A4LMNACYP51A1FYNNR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077976-B1 | WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS | JANSSEN PHARMACEUTICA NV (BE) | 2002-08-07 | — | — | EP | disclosed |
| US-6384030-B1 | COMPOUNDS AS FUNGICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-05-07 | — | — | US | disclosed |
| US-5075309-A | For prevention and treatment of fungal diseases in mammals | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-12-24 | — | — | US | disclosed |
| US-4791111-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1988-12-13 | — | — | US | 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 |