Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28841114 | 0.86 | CES2 (0.33) | RXRARXRBRXRG | |
| SCHEMBL28829397 | 0.85 | BCL2 (0.35) | — | |
| SCHEMBL28014013 | 0.85 | MAPK1 (0.35) | — | |
| SCHEMBL28005777 | 0.83 | DHODH (0.32) | — | |
| SCHEMBL28065629 | 0.82 | FPR2 (0.33) | — | |
| SCHEMBL28853365 | 0.82 | ALPL (0.31) | — | |
| SCHEMBL28026523 | 0.82 | BCL2L1 (0.39) | — | |
| SCHEMBL28049312 | 0.80 | RXRA (0.34) | RXRA | |
| SCHEMBL28164688 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL28084024 | 0.75 | MAOB (0.32) | — |
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-105593211-A | Indol and indazol derivatives | HOFFMANN LA ROCHE | 2016-05-18 | — | — | CN | disclosed |