Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7742852 | 0.89 | ADRB1 (0.38) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL7932968 | 0.88 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8671392 | 0.88 | SMN1; SMN2 (0.36) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7935630 | 0.88 | ADRB1 (0.37) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8926109 | 0.87 | CYP3A4 (0.45) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Malic Acid SCHEMBL7932007 | 0.78 | KMO (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8674722 | 0.77 | ALDH1A1 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8672635 | 0.77 | ADRB3 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4LMNA | |
| SCHEMBL7741723 | 0.76 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8671065 | 0.76 | LMNA (0.39) | 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-6268397-B1 | ALPHA-(1-ADAMANTYLAMINOMETHYL)3,4-DICHLOROBENZYL)THIOACETAMID E AND ITS ISOMERS, AS WELL AS THE ADDITION SALTS OF THESE COMPOUNDS | LABORATOIRE. L. LAFON (FR) | 2001-07-31 | — | — | US | disclosed |