Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 7/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL332894 | 0.89 | CNR1 (0.67) | CNR1CNR2ESR1ESR2ALOX5 | |
| SCHEMBL21357973 | 0.85 | CNR1 (0.53) | CNR1CNR2ESR1ESR2ALOX5 | |
| Phenol SCHEMBL8323704 | 0.83 | CNR1 (0.55) | CNR1CNR2ESR1ESR2ALOX5 | |
| SCHEMBL7652458 | 0.80 | ALDH1A1 (0.54) | CNR1CNR2ESR1ESR2ALDH1A1 | |
| SCHEMBL1924746 | 0.79 | ESR1 (0.74) | CNR1CNR2ESR1ESR2ALDH1A1 | |
| SCHEMBL29720481 | 0.79 | ESR1 (0.74) | CNR1CNR2ESR1ESR2ALDH1A1 | |
| SCHEMBL2475751 | 0.78 | NPC1 (0.62) | CNR1CNR2ESR1ESR2HTT | |
| SCHEMBL922815 | 0.77 | ESR1 (0.66) | ESR1ESR2ALDH1A1TRPA1GAA | |
| SCHEMBL10388452 | 0.77 | ESR1 (0.59) | ESR1ESR2 | |
| SCHEMBL28683951 | 0.77 | NPC1 (0.60) | CNR1CNR2ESR1ESR2HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019176855-A1 | METHOD FOR PRODUCING POLY(VINYLBENZYL)ETHER COMPOUND | 第一工業製薬株式会社 | 2019-09-19 | — | — | WO | disclosed |