Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28627811 | 0.92 | ATM (0.38) | KDM4EALDH1A1HSD17B10ALOX15CASP1 | |
| SCHEMBL28645776 | 0.91 | CYP1A2 (0.36) | KDM4EALDH1A1HSD17B10ALOX15CASP1 | |
| SCHEMBL28634110 | 0.91 | ALDH1A1 (0.40) | KDM4EALDH1A1HSD17B10ATMSMN1; SMN2 | |
| SCHEMBL28628460 | 0.90 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10ALOX15CASP1 | |
| SCHEMBL28635165 | 0.90 | MAPT (0.38) | KDM4EALDH1A1HSD17B10ALOX15CASP1 | |
| SCHEMBL28634690 | 0.90 | ALDH1A1 (0.38) | KDM4EALDH1A1HSD17B10ALOX15CASP1 | |
| SCHEMBL28627834 | 0.89 | CHKA (0.46) | ALDH1A1ATMMAPTGAAHPGD | |
| SCHEMBL28631991 | 0.89 | ALDH1A1 (0.46) | ALDH1A1HSD17B10SMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL22217751 | 0.89 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10ATMSMN1; SMN2 | |
| SCHEMBL22217753 | 0.88 | ATM (0.38) | KDM4EALDH1A1HSD17B10ATMSMN1; SMN2 |
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 |