Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | NAMPT | P43490 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3709950 | 0.88 | SLC6A2 (0.36) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL3716651 | 0.86 | HDAC6 (0.39) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL3716482 | 0.82 | HTR2A (0.43) | HDAC6HDAC3HDAC1HDAC2HDAC4 | |
| Hydrochloric Acid SCHEMBL28698113 | 0.79 | HDAC6 (0.45) | HDAC6HDAC3HDAC1HDAC2BACE1 | |
| SCHEMBL3712760 | 0.78 | SLC6A3 (0.41) | HDAC6HDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL3709501 | 0.78 | HTR2C (0.42) | HDAC6SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL3705259 | 0.77 | CTSD (0.37) | HDAC6HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL3705030 | 0.77 | SLC6A4 (0.47) | HDAC6HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL3712314 | 0.75 | SLC6A3 (0.46) | HDAC6HDAC3HDAC1HDAC2SLC6A4 | |
| SCHEMBL3709523 | 0.72 | HDAC3 (0.39) | HDAC6HDAC3HDAC1HDAC2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391603-A1 | AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086251-A1 | AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-05 | — | — | WO | disclosed |