Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.47 |
| ▸ | RXRB | P28702 | 2/20 | 0.47 |
| ▸ | RXRG | P48443 | 2/20 | 0.47 |
| ▸ | RARB | P10826 | 5/20 | 0.43 |
| ▸ | RARA | P10276 | 4/20 | 0.43 |
| ▸ | RARG | P13631 | 2/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.43 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8895056 | 0.82 | RXRA (0.64) | RXRARXRBRXRGRARBRARA | |
| SCHEMBL8015924 | 0.82 | RXRA (0.71) | RXRARXRBRXRGRARBRARA | |
| SCHEMBL8005372 | 0.81 | RXRA (0.56) | RXRARXRBRXRGRARBRARA | |
| SCHEMBL8013613 | 0.81 | RXRA (0.53) | RXRARXRBRXRGRARBRARA | |
| SCHEMBL8014568 | 0.79 | RXRA (0.67) | RXRARXRBRXRGRARBRARA | |
| SCHEMBL8020041 | 0.78 | RXRA (0.53) | RXRARXRBRXRGRARBRARA | |
| SCHEMBL28510538 | 0.74 | CA1 (0.66) | GSTP1GSTM2CA12CA1CA2 | |
| SCHEMBL20544907 | 0.72 | MEN1 (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL8896356 | 0.71 | RARB (0.53) | RXRARXRBRXRGRARBRARA | |
| SCHEMBL3819796 | 0.71 | RARB (0.60) | RXRARXRBRXRGRARBRARA |
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 |
|---|---|---|---|---|---|---|---|
| US-5672710-A | SPECIFIC AGONISTS FOR THE RXR RETINOID RECEPTOR RATHER THAN THE RAR ONE; SIDE EFFECT REDUCTION; SKIN AND NERVOUS SYTEM DISORDERS; ANTICARCINOGENIC AGENTS; VISION DEFECTS | ALLERGAN (US) | 1997-09-30 | — | — | US | disclosed |
| WO-1997016422-A1 | SULFIDES, SULFOXIDES AND SULFONES DISUBSTITUTED WITH A TETRAHYDRONAPHTHALENYL, CHROMANYL, THIOCHROMANYL OR TETRAHYDROQUINOLINYL AND SUBSTITUTED PHENYL OR HETEROARYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1997-05-09 | — | — | WO | disclosed |