Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.37 |
| ▸ | CHRNG | P07510 | 2/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRND | Q07001 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL3705030 | 0.82 | SLC6A4 (0.47) | SLC6A3SLC6A4SLC6A2HDAC3HDAC1 | |
| SCHEMBL3707873 | 0.82 | CHRNA1 (0.37) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL3718210 | 0.81 | DRD2 (0.42) | SLC6A3SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL27734521 | 0.81 | SLC6A4 (0.59) | SLC6A3SLC6A4SLC6A2HDAC3HDAC1 | |
| SCHEMBL3707243 | 0.81 | OPRM1 (0.49) | — | |
| SCHEMBL13813863 | 0.81 | SLC6A4 (0.53) | SLC6A3SLC6A4SLC6A2HDAC3HDAC1 | |
| SCHEMBL3706773 | 0.80 | SLC6A4 (0.49) | SLC6A3SLC6A4SLC6A2HDAC3HDAC1 | |
| SCHEMBL3717031 | 0.80 | SLC6A4 (0.43) | SLC6A3SLC6A4SLC6A2HDAC3HDAC1 | |
| SCHEMBL3713242 | 0.79 | SLC6A4 (0.50) | SLC6A3SLC6A4SLC6A2HDAC3HDAC1 | |
| SCHEMBL3712314 | 0.78 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2HDAC3HDAC1 |
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 |