Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | RXRB | P28702 | 1/20 | 0.52 |
| ▸ | RXRG | P48443 | 1/20 | 0.52 |
| ▸ | RORC | P51449 | 7/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5415066 | 0.84 | RXRA (0.49) | RXRARXRBRXRGGPR119ATR | |
| SCHEMBL29672462 | 0.84 | RXRA (0.62) | RXRARXRBRXRGATRALDH1A1 | |
| SCHEMBL30074115 | 0.83 | RXRA (0.54) | RXRARXRBRXRGGPR119ATR | |
| SCHEMBL30074112 | 0.83 | RXRA (0.54) | RXRARXRBRXRGGPR119ATR | |
| SCHEMBL24934277 | 0.83 | RXRA (0.54) | RXRARXRBRXRGALDH1A1 | |
| SCHEMBL30162881 | 0.83 | RXRA (0.54) | RXRARXRBRXRGALDH1A1 | |
| SCHEMBL25073930 | 0.82 | DGAT1 (0.40) | RXRARXRBRXRGRORCDGAT1 | |
| SCHEMBL24638418 | 0.81 | CA12 (0.40) | RXRARXRBRXRGRORCACSS2 | |
| SCHEMBL30049939 | 0.81 | CA12 (0.40) | RXRARXRBRXRGRORCACSS2 | |
| SCHEMBL660723 | 0.81 | GPR119 (0.46) | RXRARXRBRXRGGPR119ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |