Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.43 |
| ▸ | RARA | P10276 | 2/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL13198676 | 0.88 | RARB (0.38) | RARBDRD2DRD1DRD4DRD5 | |
| SCHEMBL2942703 | 0.87 | MCL1 (0.41) | RARBRARARARGMCL1RXRA | |
| SCHEMBL2255800 | 0.82 | RXRA (0.52) | RXRARXRBRXRG | |
| SCHEMBL20224587 | 0.81 | MPL (0.36) | RARBDRD2DRD1DRD4DRD5 | |
| SCHEMBL10455918 | 0.80 | PPARG (0.42) | RARBRARARARGS1PR1CA2 | |
| SCHEMBL13239271 | 0.79 | EPAS1 (0.39) | KIF11 | |
| SCHEMBL9062079 | 0.79 | CYP17A1 (0.43) | RARBRARARARGMCL1S1PR1 | |
| SCHEMBL14157503 | 0.79 | PPARA (0.44) | RARBRARARARG | |
| SCHEMBL5538777 | 0.78 | RXRA (0.41) | CYP17A1RXRARXRBRXRG | |
| SCHEMBL6934515 | 0.78 | PDK2 (0.47) | CA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180105748-A1 | LIQUID-CRYSTALLINE MEDIUM, COMPOUNDS, AND HIGH-FREQUENCY COMPONENTS | MERCK PATENT GMBH (DE) | 2018-04-19 | — | — | US | disclosed |