Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22117097 | 0.81 | MEN1 (0.53) | ALDH1A1GAANPC1RAB9ACTDSP1 | |
| SCHEMBL31375577 | 0.81 | ALDH1A1 (0.70) | ALDH1A1GAANPC1RAB9APOLB | |
| SCHEMBL22116987 | 0.79 | CA1 (0.53) | ALDH1A1GAANPC1RAB9APOLB | |
| SCHEMBL22116906 | 0.79 | CTDSP1 (0.70) | ALDH1A1GAANPC1RAB9ACTDSP1 | |
| SCHEMBL22117042 | 0.77 | PLK1 (0.56) | ALDH1A1GAANPC1RAB9APOLB | |
| SCHEMBL22116992 | 0.76 | CACNA1B (0.54) | ALDH1A1GAAPOLBKDM4ECYP3A4 | |
| SCHEMBL31336133 | 0.75 | HDAC1 (0.58) | ALDH1A1GAANPC1RAB9ACTDSP1 | |
| SCHEMBL26125227 | 0.75 | HDAC1 (0.58) | ALDH1A1GAANPC1RAB9ACTDSP1 | |
| SCHEMBL28647208 | 0.73 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ACTDSP1POLB | |
| SCHEMBL22117158 | 0.73 | HPGD (0.56) | ALDH1A1GAANPC1RAB9AKDM4E |
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-108137518-B | 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 株式会社钟根堂 | 2021-08-31 | — | — | CN | disclosed |