Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9326005 | 1.00 | TLR4 (0.33) | TLR4HRH3PTGS2OPRM1CYP3A4 | |
| SCHEMBL9325992 | 1.00 | TLR4 (0.33) | TLR4HRH3PTGS2OPRM1CYP3A4 | |
| SCHEMBL9294600 | 0.95 | HRH3 (0.35) | HRH3PTGS2OPRM1CYP3A4ITGB3 | |
| SCHEMBL9294596 | 0.95 | HRH3 (0.35) | HRH3PTGS2OPRM1CYP3A4ITGB3 | |
| SCHEMBL14525909 | 0.91 | — | — | |
| SCHEMBL7525064 | 0.89 | TLR4 (0.35) | TLR4HRH3 | |
| SCHEMBL7507334 | 0.89 | TLR4 (0.35) | TLR4HRH3 | |
| SCHEMBL7525081 | 0.89 | TLR4 (0.35) | TLR4HRH3 | |
| SCHEMBL7757321 | 0.88 | MEN1 (0.35) | HRH3PTGS2OPRM1CYP3A4ITGB3 | |
| SCHEMBL13671376 | 0.88 | HRH1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-6093263-A | — | — | None | — | — | JP | disclosed |
| JP-H0693263-A | LIQUID CRYSTAL COMPOSITION | DAINIPPON INK & CHEM INC | 1994-04-05 | — | — | JP | disclosed |