Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.45 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL242268 | 0.93 | — | — | |
| Oxalic Acid SCHEMBL10413766 | 0.91 | CA2 (0.48) | SIGMAR1CA2CA12CA1CA9 | |
| Water SCHEMBL15152290 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 | |
| SCHEMBL28706408 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 | |
| SCHEMBL28848380 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 | |
| Hydrochloric Acid SCHEMBL956960 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 | |
| SCHEMBL28709291 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 | |
| Bromide SCHEMBL21957301 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 | |
| SCHEMBL21065355 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 | |
| SCHEMBL8029418 | 0.90 | CA2 (0.52) | SIGMAR1CA2CA12CA1CA9 |
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 |