Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MRGPRX1 | Q96LB2 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28215727 | 0.98 | HTR2C (0.45) | HTR2CALDH1A1MRGPRX1THRBKEAP1 | |
| SCHEMBL10270716 | 0.89 | ALDH1A1 (0.47) | ALDH1A1MRGPRX1THRBKEAP1NFE2L2 | |
| SCHEMBL2447209 | 0.77 | HDAC4 (0.47) | HTR2CALDH1A1KEAP1TSHRBRD4 | |
| SCHEMBL30024897 | 0.73 | OPRM1 (0.49) | HTR2CALDH1A1JAK2BRD4 | |
| SCHEMBL13164007 | 0.72 | HTR6 (0.49) | HTR2CALDH1A1TSHR | |
| SCHEMBL28210750 | 0.72 | FKBP1A (0.49) | ALDH1A1KEAP1TSHR | |
| Hydrochloric Acid SCHEMBL30024461 | 0.72 | OPRM1 (0.48) | HTR2CALDH1A1JAK2BRD4 | |
| SCHEMBL1476351 | 0.72 | KEAP1 (0.70) | ALDH1A1THRBKEAP1NFE2L2TSHR | |
| SCHEMBL82901 | 0.71 | BRD4 (0.54) | HTR2CBRD4 | |
| Hydrochloric Acid SCHEMBL68445 | 0.70 | BRD4 (0.52) | HTR2CBRD4 |
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 |