Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CYP21A2 | P08686 | 8/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29240597 | 0.93 | CYP3A4 (0.52) | CYP3A4THRBCYP21A2CYP19A1CYP17A1 | |
| SCHEMBL30380843 | 0.89 | CYP3A4 (0.61) | CYP3A4THRBCYP21A2CYP19A1CYP17A1 | |
| SCHEMBL11542344 | 0.89 | CYP3A4 (0.61) | CYP3A4THRBCYP21A2CYP19A1CYP17A1 | |
| SCHEMBL11557182 | 0.89 | CYP3A4 (0.61) | CYP3A4THRBCYP21A2CYP19A1CYP17A1 | |
| SCHEMBL11557180 | 0.89 | CYP3A4 (0.61) | CYP3A4THRBCYP21A2CYP19A1CYP17A1 | |
| SCHEMBL28037605 | 0.88 | CYP3A4 (0.39) | CYP3A4THRBCYP21A2CYP19A1CYP17A1 | |
| SCHEMBL9457844 | 0.85 | CYP3A4 (0.39) | CYP3A4THRBLMNAHSP90AA1SLC6A2 | |
| SCHEMBL9457812 | 0.82 | CYP3A4 (0.34) | CYP3A4THRBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29240602 | 0.82 | MAOB (0.37) | CYP3A4THRBLMNAHTR2ASLC6A4 | |
| SCHEMBL29240596 | 0.81 | USP2 (0.47) | CYP3A4THRBLMNATSHRUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118108587-A | Method for preparing phenylate ketone bromide | 江苏扬农化工股份有限公司 | 2024-05-31 | — | — | CN | disclosed |