Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL14085553 | 0.88 | NPC1 (0.58) | ALDH1A1NPC1ALOX12HDAC8HDAC1 | |
| SCHEMBL3789950 | 0.85 | CA12 (0.48) | ALDH1A1CYP17A1PDK1PDK2PDK3 | |
| SCHEMBL13577049 | 0.85 | ALDH1A1 (0.46) | ALDH1A1NPC1ALOX12HDAC8HDAC1 | |
| SCHEMBL13577048 | 0.85 | ALDH1A1 (0.46) | ALDH1A1NPC1ALOX12HDAC8HDAC1 | |
| SCHEMBL9104625 | 0.84 | CA12 (0.44) | ALDH1A1NPC1HDAC8HDAC1HDAC6 | |
| SCHEMBL6856839 | 0.83 | PDK1 (0.58) | ALDH1A1NPC1PDK1PDK2PDK3 | |
| SCHEMBL28738831 | 0.83 | PDK1 (0.56) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL24661913 | 0.82 | CYP17A1 (0.51) | ALDH1A1HDAC8HDAC1HDAC6CYP17A1 | |
| SCHEMBL458679 | 0.81 | AAK1 (0.46) | NPC1PDK1PDK2PDK3PDK4 | |
| SCHEMBL12445268 | 0.81 | ALDH1A1 (0.46) | ALDH1A1NPC1PDK1PDK2PDK3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015005408-A1 | HYDRAZIDE COMPOUND, AND USE THEREOF FOR CONTROLLING HARMFUL ARTHROPODS | 住友化学株式会社 (JP) | 2015-01-15 | — | — | WO | disclosed |