Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.62 |
| ▸ | FYN | P06241 | 2/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.62 |
| ▸ | HTR2A | P28223 | 2/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.62 |
| ▸ | PGR | P06401 | 1/20 | 0.62 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.62 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL10984168 | 1.00 | CYP3A4 (0.62) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10982558 | 0.89 | CYP3A4 (0.64) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10982561 | 0.89 | CYP3A4 (0.64) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10983020 | 0.89 | CYP3A4 (0.62) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10983018 | 0.89 | CYP3A4 (0.62) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| Water SCHEMBL10985007 | 0.89 | CYP3A4 (0.62) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10983214 | 0.89 | CYP3A4 (0.64) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10983219 | 0.89 | CYP3A4 (0.64) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10992662 | 0.88 | CYP3A4 (0.63) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10992660 | 0.88 | CYP3A4 (0.63) | 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 |
|---|---|---|---|---|---|---|---|
| US-4533550-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1985-08-06 | — | — | US | disclosed |
| EP-0006712-B1 | HETEROCYCLIC DERIVATIVES OF (4-ARYLOXYMETHYL-1.3-DIOXOLAN-2-YL) METHYL-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND THE DERIVATIVES FOR USE AS FUNGICIDES AND BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-11-30 | — | — | EP | disclosed |
| US-4313953-A | BACTERICIDES, FUNGICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-02-02 | — | — | US | disclosed |
| US-4218458-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1980-08-19 | — | — | US | disclosed |
| EP-0006712-A1 | Heterocyclic derivatives of (4-aryloxymethyl-1.3-dioxolan-2-yl) methyl-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and the derivatives for use as fungicides and bactericides | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-01-09 | — | — | EP | disclosed |