Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.67 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.67 |
| ▸ | HTR2A | P28223 | 2/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | FYN | P06241 | 2/20 | 0.67 |
| ▸ | PGR | P06401 | 1/20 | 0.67 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.67 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.67 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL10498933 | 1.00 | CYP3A4 (0.67) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL11218213 | 0.89 | CYP3A4 (0.80) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL13109471 | 0.89 | CYP3A4 (0.80) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL11218215 | 0.89 | CYP3A4 (0.80) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL10498517 | 0.87 | CYP3A4 (0.72) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL10498504 | 0.87 | CYP3A4 (0.72) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL10498293 | 0.86 | CYP3A4 (0.68) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL10498767 | 0.86 | CYP3A4 (0.68) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL10499257 | 0.85 | CYP3A4 (0.69) | CYP3A4LMNACYP51A1NR1I2HSP90AA1 | |
| SCHEMBL10498595 | 0.85 | CYP3A4 (0.69) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4861879-A | VAGINAL FUNGICIDE | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-08-29 | — | — | US | disclosed |
| EP-0118138-B1 | ((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) | 1989-06-14 | — | — | EP | disclosed |
| US-4735942-A | FUNGICIDE, BACTERICIDE PARTICULARLY FOR UROGENITAL DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1988-04-05 | — | — | US | disclosed |
| US-4619931-A | BACTERICIDES, FUNGICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1986-10-28 | — | — | US | disclosed |
| EP-0118138-A1 | ((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) | 1984-09-12 | — | — | EP | disclosed |