Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CHRND | Q07001 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3709671 | 0.84 | SLC6A9 (0.37) | SLC6A4ROCK2ROCK1HDAC3HDAC1 | |
| SCHEMBL3705955 | 0.84 | HDAC6 (0.43) | SLC6A4SLC6A2HDAC3HDAC1HDAC2 | |
| SCHEMBL17790240 | 0.84 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC22A1KDM1AHDAC3 | |
| SCHEMBL3718146 | 0.82 | OPRM1 (0.49) | SLC6A4HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL14017660 | 0.82 | OPRM1 (0.54) | SLC6A4SLC6A2SLC22A1KDM1AHDAC3 | |
| SCHEMBL3705030 | 0.80 | SLC6A4 (0.47) | SLC6A4SLC6A2KDM1AHDAC3HDAC1 | |
| SCHEMBL3707873 | 0.80 | CHRNA1 (0.37) | SLC6A4SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL3707150 | 0.80 | SLC6A3 (0.47) | SLC6A4SLC6A2HDAC3HDAC1HDAC2 | |
| SCHEMBL3086771 | 0.79 | OPRM1 (0.49) | SLC6A4SLC6A2SLC22A1KDM1ASLC6A3 | |
| SCHEMBL3707243 | 0.79 | OPRM1 (0.49) | OPRM1OPRL1SLC6A9 |
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 |