Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 14/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062809 | 1.00 | PNMT (0.41) | PNMTSLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8062813 | 1.00 | PNMT (0.41) | PNMTSLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8105513 | 0.81 | SLC6A2 (0.43) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8880185 | 0.81 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8564048 | 0.81 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11580923 | 0.78 | PNMT (0.44) | PNMTSLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL7498979 | 0.76 | SLC6A2 (0.38) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8101480 | 0.73 | SLC6A3 (0.40) | PNMTSLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8332281 | 0.73 | SLC6A3 (0.40) | PNMTSLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8625916 | 0.73 | SLC6A2 (0.51) | PNMTSLC6A4SLC6A2SLC6A3CYP3A4 |
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-1998025617-A1 | SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |