Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | HSD17B1 | P14061 | 8/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28441993 | 1.00 | CYP3A4 (0.56) | CYP3A4ALDH1A1RECQLHSD17B1HSD17B2 | |
| SCHEMBL18324157 | 0.86 | ALDH1A1 (0.69) | CYP3A4ALDH1A1RECQLBACE1ESR2 | |
| SCHEMBL28437772 | 0.85 | PTGS1 (0.49) | CYP3A4ALDH1A1RECQLCYP17A1CYP2D6 | |
| SCHEMBL28437771 | 0.85 | PTGS1 (0.49) | CYP3A4ALDH1A1RECQLCYP17A1CYP2D6 | |
| SCHEMBL13589555 | 0.78 | HSD17B1 (0.72) | CYP3A4HSD17B1HSD17B2ESR2ESR1 | |
| SCHEMBL3811825 | 0.78 | HSD17B1 (0.72) | CYP3A4HSD17B1HSD17B2ESR2ESR1 | |
| SCHEMBL14984804 | 0.76 | ALDH1A1 (0.53) | CYP3A4ALDH1A1RECQLESR2ESR1 | |
| SCHEMBL29429121 | 0.75 | HSD17B1 (0.68) | CYP3A4ALDH1A1HSD17B1HSD17B2ESR2 | |
| SCHEMBL29696046 | 0.75 | HSD17B1 (0.68) | CYP3A4ALDH1A1HSD17B1HSD17B2ESR2 | |
| SCHEMBL272034 | 0.75 | HSD17B1 (0.68) | CYP3A4ALDH1A1HSD17B1HSD17B2ESR2 |
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-111542515-A | TOLL-like receptor 8(TLR8) specific antagonist and preparation method and application thereof | 科罗拉多州立大学董事会法人团体 | 2020-08-14 | — | — | CN | disclosed |