Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 20/20 | 0.81 |
| ▸ | RXRG | P48443 | 9/20 | 0.81 |
| ▸ | RXRB | P28702 | 8/20 | 0.81 |
| ▸ | RARB | P10826 | 6/20 | 0.81 |
| ▸ | RARG | P13631 | 5/20 | 0.81 |
| ▸ | RARA | P10276 | 3/20 | 0.81 |
| ▸ | MEN1 | O00255 | 1/20 | 0.81 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.81 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.81 |
| ▸ | ESR1 | P03372 | 1/20 | 0.81 |
| ▸ | PGR | P06401 | 1/20 | 0.81 |
| ▸ | HTR1A | P08908 | 1/20 | 0.81 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.81 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.81 |
| ▸ | DRD1 | P21728 | 1/20 | 0.81 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.81 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.81 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.81 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Bexarotene SCHEMBL9025 | 0.90 | RXRA (1.00) | RXRARXRGRXRBRARBRARG | |
| Bexarotene SCHEMBL5322954 | 0.90 | RXRA (1.00) | RXRARXRGRXRBRARBRARG | |
| Bexarotene SCHEMBL29412584 | 0.90 | RXRA (1.00) | RXRARXRGRXRBRARBRARG | |
| Bexarotene SCHEMBL4432606 | 0.89 | RXRA (0.97) | RXRARXRGRXRBRARBRARG | |
| Bexarotene SCHEMBL28672173 | 0.87 | RXRA (0.94) | RXRARXRGRXRBRARBRARG | |
| SCHEMBL24055307 | 0.85 | RXRA (0.90) | RXRARXRGRXRBRARBRARG | |
| SCHEMBL24055118 | 0.85 | RXRA (0.90) | RXRARXRGRXRBRARBRARG | |
| Bexarotene SCHEMBL2571575 | 0.84 | RXRA (0.87) | RXRARXRGRXRBRARBRARG | |
| SCHEMBL16926899 | 0.82 | RXRA (0.84) | RXRARXRGRXRBRARBRARG | |
| SCHEMBL6891228 | 0.82 | RXRA (0.84) | RXRARXRGRXRBRARBRARG |
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-2017118841-A1 | METHOD OF IDENTIFYING NOVEL PROTEIN AGGREGATION INHIBITORS BASED ON CHEMICAL KINETICS | CAMBRIDGE ENTERPRISE LIMITED (GB) | 2017-07-13 | — | — | WO | disclosed |