Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 6/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28298481 | 0.85 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28298479 | 0.78 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28298480 | 0.76 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28299958 | 0.76 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28299917 | 0.76 | TLR4 (1.00) | TLR4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2993363 | 0.75 | TLR4 (0.69) | TLR4ADRB2DNM1ADRB3 | |
| SCHEMBL958109 | 0.71 | TLR4 (0.58) | TLR4ADRB2DNM1ADRB3 | |
| SCHEMBL2997878 | 0.71 | TLR4 (0.59) | TLR4ADRB2DNM1ADRB3 | |
| SCHEMBL17946290 | 0.70 | TLR4 (0.56) | TLR4ADRB2DNM1ADRB3 | |
| SCHEMBL14542990 | 0.69 | TLR4 (0.55) | TLR4ADRB2DNM1ADRB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109867662-B | Carbazole beta-aminoalcohol derivative and preparation method and application thereof | 南方医科大学 | 2020-08-14 | — | — | CN | disclosed |
| CN-109867662-A | A kind of carbazole beta-alkamine analog derivative and its preparation method and application | 南方医科大学 | 2019-06-11 | — | — | CN | disclosed |