Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11581565 | 0.79 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL19238715 | 0.79 | SLC6A2 (0.42) | PNMTSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL10599869 | 0.79 | PNMT (0.44) | PNMTSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL8580760 | 0.78 | PNMT (0.41) | PNMTSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL8062809 | 0.78 | PNMT (0.41) | PNMTSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL8062813 | 0.78 | PNMT (0.41) | PNMTSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL19493622 | 0.77 | ALDH1A1 (0.49) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL297668 | 0.77 | SLC6A2 (0.45) | PNMTSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL12497722 | 0.77 | SLC6A2 (0.45) | PNMTSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL19493632 | 0.77 | ALDH1A1 (0.49) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4075241-A | 2-(Aryl)-3-(dimethylamino)butyl-3,4,5-trimethoxybenzoates | GRUPPO LEPETIT S.P.A. (IT) | 1978-02-21 | — | — | US | disclosed |