Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28627834 | 0.94 | CHKA (0.46) | ALDH1A1CHKAMEN1KMT2AMAPT | |
| SCHEMBL28631991 | 0.94 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL28638894 | 0.92 | CHKA (0.36) | ALDH1A1KDM4ECHKAMEN1KMT2A | |
| SCHEMBL28637432 | 0.91 | KDM4E (0.36) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL28632341 | 0.91 | KDM4E (0.36) | ALDH1A1KDM4EMEN1KMT2AALOX12 | |
| SCHEMBL28637497 | 0.90 | CCR5 (0.36) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL22217620 | 0.90 | CHKA (0.41) | ALDH1A1KDM4ECHKAMEN1KMT2A | |
| SCHEMBL28633990 | 0.90 | HDAC1 (0.39) | ALDH1A1CHKAMEN1KMT2AMAPT | |
| SCHEMBL28635719 | 0.89 | HTR2A (0.38) | ALDH1A1KDM4ECHKAMEN1KMT2A | |
| SCHEMBL22217621 | 0.89 | CHKA (0.40) | ALDH1A1KDM4ECHKAMEN1KMT2A |
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 |