Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.41 |
| ▸ | KIF11 | P52732 | 5/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | UQCRB | P14927 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9714500 | 0.87 | ESR1 (0.42) | ESR1ESR2KIF11HSD17B1HSD17B2 | |
| SCHEMBL1546508 | 0.79 | NR3C2 (0.39) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL14770844 | 0.78 | ESR1 (0.42) | ESR1ESR2KIF11ARALDH1A1 | |
| SCHEMBL5648833 | 0.78 | CNR1 (0.43) | ESR1ESR2KIF11ARALDH1A1 | |
| SCHEMBL5648466 | 0.75 | ESR1 (0.47) | ESR1ESR2KIF11ARHSD17B1 | |
| SCHEMBL10515022 | 0.75 | ESR1 (0.50) | ESR1ESR2KIF11ARALDH1A1 | |
| SCHEMBL5645169 | 0.71 | CNR1 (0.51) | ESR1ESR2KIF11 | |
| SCHEMBL10538090 | 0.71 | ESR1 (0.59) | ESR1ESR2KIF11AR | |
| SCHEMBL19236477 | 0.71 | DRD2 (0.40) | ESR1ESR2KIF11HSD17B1HSD17B2 | |
| SCHEMBL3855592 | 0.70 | CNR2 (0.57) | — |
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-3995492-A1 | A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES | SpecGx LLC (US) | 2022-05-11 | — | — | EP | disclosed |