Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28470285 | 0.85 | ALOX5 (0.43) | PTGS2TYMPNOX1MAPTPNMT | |
| SCHEMBL28468561 | 0.84 | TAAR1 (0.38) | PDE4ACYP1A2 | |
| SCHEMBL29706663 | 0.80 | CYP2A6 (0.42) | TYMPPDE4ACYP1A2LMNAMAPT | |
| SCHEMBL28470294 | 0.79 | DHODH (0.35) | PTGS2NOX1GABRA1GABRG2GABRB3 | |
| SCHEMBL29625427 | 0.78 | DHODH (0.38) | PTGS2NOX1MAPTHTTTP53 | |
| SCHEMBL19747787 | 0.73 | PTGS2 (0.57) | PTGS2HDAC1HDAC2CYP1A1CYP1A2 | |
| SCHEMBL23174839 | 0.72 | TYMP (0.42) | TYMPCYP1A2LMNAMAPTHTT | |
| SCHEMBL16887400 | 0.72 | AKR1C2 (0.48) | TYMPLMNAMAPTHTT | |
| Benzene SCHEMBL28456073 | 0.71 | PTGS2 (0.48) | PTGS2HDAC1HDAC2NOX1CA1 | |
| SCHEMBL13475909 | 0.71 | — | — |
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-108467370-B | Triazole naphthoquinone bi-aromatic ring derivative or triazole naphthoquinone bi-aromatic heterocyclic derivative, and preparation method and application thereof | 四川大学 | 2021-11-23 | — | — | CN | disclosed |