Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | FYN | P06241 | 2/20 | 0.54 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10988860 | 0.89 | CYP3A4 (0.69) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| SCHEMBL10988862 | 0.89 | CYP3A4 (0.69) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| SCHEMBL1152900 | 0.83 | CYP3A4 (0.68) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| SCHEMBL10987052 | 0.81 | CYP3A4 (0.74) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| SCHEMBL10987059 | 0.81 | CYP3A4 (0.74) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| SCHEMBL11401553 | 0.79 | CYP3A4 (0.65) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| SCHEMBL11380482 | 0.79 | CYP3A4 (0.65) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| Hydrochloric Acid SCHEMBL10986880 | 0.79 | CYP3A4 (0.72) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| Hydrochloric Acid SCHEMBL10986883 | 0.79 | CYP3A4 (0.72) | CYP3A4LMNAFYNCYP51A1NR1I2 | |
| SCHEMBL10980518 | 0.78 | CYP3A4 (0.78) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0006722-B1 | DERIVATIVES OF (4-(PIPERAZIN-1-YL-PHENYLOXYMETHYL)-1.3-DIOXOLAN-2-YLMETHYL)-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND USE AS FUNGICIDES AND BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-09-05 | — | — | EP | disclosed |