Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.41 |
| ▸ | IL1RN | P18510 | 1/20 | 0.40 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 5/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL14191076 | 0.77 | KEAP1 (0.50) | KEAP1CA1CA2NR3C2IL1RN | |
| SCHEMBL28473895 | 0.74 | ALDH1A1 (0.43) | CA1CA12CA9MEN1KMT2A | |
| SCHEMBL24980893 | 0.74 | KEAP1 (0.47) | KEAP1CA1CA2NR3C2IL1RN | |
| SCHEMBL28023032 | 0.73 | PSIP1 (0.47) | ALDH1A1CCR5 | |
| SCHEMBL7724502 | 0.72 | KEAP1 (0.46) | KEAP1CA1CA2NR3C2IL1RN | |
| SCHEMBL21239626 | 0.71 | KEAP1 (0.48) | KEAP1CA1CA2NR3C2IL1RN | |
| SCHEMBL4099446 | 0.71 | KEAP1 (0.58) | KEAP1CA1CA2IL1RNERAP1 | |
| SCHEMBL9001178 | 0.69 | HDAC8 (0.42) | KEAP1CA1CA2MEN1KMT2A | |
| SCHEMBL1972989 | 0.69 | HPGD (0.67) | KEAP1CA1CA2NR3C2IL1RN | |
| SCHEMBL18722578 | 0.68 | KEAP1 (0.54) | KEAP1CA1CA2NR3C2IL1RN |
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-107922362-A | 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2018-04-17 | — | — | CN | disclosed |