Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6424063 | 0.85 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6424065 | 0.85 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL14144546 | 0.83 | SMN1; SMN2 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL13964798 | 0.82 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL13965179 | 0.80 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6604797 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6604805 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4260062 | 0.77 | SLC6A2 (0.33) | SLC6A2SLC6A4ALDH1A1LMNA | |
| SCHEMBL4027724 | 0.77 | TBXAS1 (0.38) | SLC6A2SLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL6577169 | 0.76 | SLC6A3 (0.40) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6136827-A | PIPERIDINE COMPOUNDS AS DRUGS | MERCK & CO., INC. (US) | 2000-10-24 | — | — | US | disclosed |
| EP-1003514-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999004794-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-02-04 | — | — | WO | disclosed |