Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL22748831 | 0.88 | KCNH2 (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5099937 | 0.77 | ACACB (0.40) | TLR8 | |
| SCHEMBL7651081 | 0.74 | CYP2D6 (0.36) | TLR8CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17525545 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL31633771 | 0.71 | ACACB (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL8978869 | 0.71 | ACACB (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL19384848 | 0.70 | ACACB (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL8978862 | 0.69 | ACACB (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL15353223 | 0.68 | TLR8 (0.45) | TLR8CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19403081 | 0.67 | HSD17B10 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0530338-B1 | ANISOTROPIC ORGANIC COMPOUNDS | QINETIQ LTD (GB) | 2002-05-02 | — | — | EP | disclosed |
| US-5888421-A | LIQUID CRYSTALS | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1999-03-30 | — | — | US | disclosed |