Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | F7 | P08709 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | F3 | P13726 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9025942 | 0.89 | HDAC1 (0.50) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL9027101 | 0.86 | BACE1 (0.50) | HDAC1HDAC8AHRCYP2A6MAOA | |
| SCHEMBL8666600 | 0.85 | HDAC1 (0.55) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL28091996 | 0.82 | HDAC1 (0.55) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL14832829 | 0.82 | HDAC1 (0.58) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL3800769 | 0.82 | HDAC1 (0.55) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL8694824 | 0.82 | HDAC1 (0.55) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL5057022 | 0.81 | AHR (0.50) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL25143778 | 0.81 | HDAC1 (0.57) | HDAC1HDAC8AHRNR4A2CYP2A6 | |
| SCHEMBL12384488 | 0.81 | HDAC1 (0.57) | HDAC1HDAC8AHRNR4A2CYP2A6 |
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-108383770-A | A kind of method that microwave copper/Peracetic acid catalysis oxidation indoles prepares indoles -2,3- derovatives | 福建医科大学 | 2018-08-10 | — | — | CN | disclosed |