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 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.53 |
| ▸ | FYN | P06241 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL10666653 | 1.00 | CYP3A4 (0.53) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL10764859 | 0.91 | CYP3A4 (0.50) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL9662728 | 0.91 | CYP3A4 (0.58) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL10673227 | 0.91 | CYP3A4 (0.58) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL9663765 | 0.86 | CYP3A4 (0.75) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL10670218 | 0.86 | CYP3A4 (0.75) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL10551321 | 0.83 | CYP3A4 (0.53) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL10552284 | 0.81 | CYP3A4 (0.55) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL10673434 | 0.79 | CYP3A4 (0.56) | CYP3A4LMNACYP51A1HSP90AA1FYN | |
| SCHEMBL9664747 | 0.79 | CYP3A4 (0.56) | CYP3A4LMNACYP51A1HSP90AA1FYN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-4791111-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1988-12-13 | — | — | US | disclosed |