Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23588334 | 1.00 | HDAC6 (0.50) | HDAC6HDAC8NOS2CES2CES1 | |
| SCHEMBL13900160 | 1.00 | HDAC6 (0.50) | HDAC6HDAC8NOS2CES2CES1 | |
| SCHEMBL10167684 | 1.00 | HDAC6 (0.50) | HDAC6HDAC8NOS2CES2CES1 | |
| SCHEMBL578274 | 1.00 | HDAC6 (0.50) | HDAC6HDAC8NOS2CES2CES1 | |
| SCHEMBL13751299 | 1.00 | HDAC6 (0.50) | HDAC6HDAC8NOS2CES2CES1 | |
| SCHEMBL1277640 | 0.97 | — | — | |
| SCHEMBL1842755 | 0.92 | — | — | |
| SCHEMBL387031 | 0.85 | — | — | |
| SCHEMBL19544336 | 0.84 | HDAC8 (0.37) | HDAC6HDAC8NOS2EPHX1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27195992 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006123249-A2 | NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2006-11-23 | — | — | WO | disclosed |