Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 8/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL28637520 | 0.92 | TLR4 (0.88) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28651209 | 0.91 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28925225 | 0.89 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28874740 | 0.88 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10310578 | 0.87 | TLR4 (0.79) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10310595 | 0.85 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1462506 | 0.85 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10310568 | 0.84 | TLR4 (0.88) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10310565 | 0.84 | TLR4 (0.88) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10310561 | 0.84 | TLR4 (0.88) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 |
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-109867627-B | Substituted phenol beta-aminoalcohol derivative and its preparation method and use | 南方医科大学 | 2021-05-07 | — | — | CN | disclosed |