Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 8/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TYR | P14679 | 1/20 | 0.30 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31236721 | 0.93 | AR (0.40) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL24481071 | 0.91 | AR (0.43) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL29579789 | 0.91 | AR (0.43) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL29580291 | 0.84 | AR (0.43) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL24480897 | 0.84 | AR (0.43) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL29579106 | 0.81 | AR (0.41) | ARHPGD | |
| SCHEMBL22468712 | 0.81 | AR (0.49) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL21854449 | 0.81 | AR (0.54) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL29447826 | 0.81 | AR (0.54) | ARESR1ESR2CYP3A4HPGD | |
| SCHEMBL29448116 | 0.81 | AR (0.49) | ARESR1ESR2CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-116529248-A | Benzene ring derivative, composition and pharmaceutical application thereof | 四川海思科制药有限公司 | 2023-08-01 | — | — | CN | disclosed |
| WO-2022111526-A1 | BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2022-06-02 | — | — | WO | disclosed |