Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.47 |
| ▸ | CCR5 | P51681 | 8/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19507148 | 0.71 | KDM1A (0.39) | KDM1ASMYD3HRH2HRH1HRH3 | |
| SCHEMBL21300418 | 0.70 | SMYD3 (0.39) | KDM1ACCR5SMYD3HRH2HRH1 | |
| SCHEMBL19507145 | 0.70 | SMYD3 (0.39) | KDM1ACCR5SMYD3HRH2HRH1 | |
| SCHEMBL13974454 | 0.70 | SMYD3 (0.39) | KDM1ACCR5SMYD3HRH2HRH1 | |
| SCHEMBL28215833 | 0.70 | HTR6 (0.38) | HTR2AHRH1 | |
| SCHEMBL1911332 | 0.67 | LTA4H (0.60) | KDM1AHTR2AHTR2CHDAC1OPRM1 | |
| SCHEMBL13634431 | 0.67 | LTA4H (0.60) | KDM1AHTR2AHTR2CHDAC1OPRM1 | |
| SCHEMBL13024536 | 0.67 | LTA4H (0.60) | KDM1AHTR2AHTR2CHDAC1OPRM1 | |
| SCHEMBL12838076 | 0.67 | KDM1A (0.54) | KDM1AHTR2AHRH1OPRM1SIGMAR1 | |
| SCHEMBL28215742 | 0.65 | MEN1 (0.41) | — |
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 |