Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9590500 | 1.00 | TP53 (0.48) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9592542 | 0.99 | TP53 (0.50) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9592152 | 0.99 | TP53 (0.50) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9592164 | 0.99 | TP53 (0.50) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9589875 | 0.99 | TP53 (0.47) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9592549 | 0.99 | TP53 (0.50) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9591128 | 0.99 | TP53 (0.50) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9591115 | 0.99 | TP53 (0.50) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9589885 | 0.99 | TP53 (0.47) | TP53TSHRPLA2G4BHRH2HRH1 | |
| SCHEMBL9589493 | 0.98 | TP53 (0.46) | TP53TSHRPLA2G4BHRH2HRH1 |
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-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |