Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 4/20 | 0.34 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1202127 | 0.65 | ESR2 (0.41) | ALDH1A1 | |
| SCHEMBL5211064 | 0.64 | MAPK1 (0.36) | KDM1ATSHRALDH1A1 | |
| SCHEMBL28944088 | 0.63 | RARB (0.45) | TP53TSHRPLA2G4BRARB | |
| SCHEMBL7082357 | 0.61 | ESR2 (0.53) | ALDH1A1 | |
| SCHEMBL28094298 | 0.60 | TSHR (0.41) | KDM1ATSHRALDH1A1 | |
| SCHEMBL15456775 | 0.60 | NPC1 (0.41) | ALDH1A1 | |
| SCHEMBL23234367 | 0.59 | MAPT (0.50) | KDM1ATSHRRXRAALDH1A1 | |
| SCHEMBL27761329 | 0.59 | RARB (0.47) | TP53TSHRPLA2G4BRARB | |
| SCHEMBL8885387 | 0.59 | PARP11 (0.49) | — | |
| SCHEMBL10984917 | 0.59 | TP53 (0.43) | TP53TSHRPLA2G4BRARBALDH1A1 |
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-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |