Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sibutramine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 16/20 | 0.97 |
| ▸ | SLC6A4 known ✓ | P31645 | 16/20 | 0.97 |
| ▸ | SLC6A2 known ✓ | P23975 | 9/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 2/20 | 1.00 |
| ▸ | TSHR | P16473 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.97 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.97 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.97 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.97 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.97 |
| ▸ | HTR2A | P28223 | 1/20 | 0.97 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.97 |
| ▸ | HTR2B | P41595 | 1/20 | 0.97 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Sibutramine SCHEMBL7191483 | 1.00 | CYP3A4 (1.00) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL7189499 | 1.00 | CYP3A4 (1.00) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL1598 | 1.00 | CYP3A4 (1.00) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL42301 | 0.99 | CYP3A4 (0.97) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL4051966 | 0.99 | CYP3A4 (0.97) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL4594859 | 0.99 | CYP3A4 (0.97) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL3855473 | 0.99 | CYP3A4 (0.97) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL2672138 | 0.98 | SLC6A3 (1.00) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL2955 | 0.98 | SLC6A3 (1.00) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| Sibutramine SCHEMBL3707643 | 0.98 | SLC6A3 (1.00) | CYP3A4ALOX15TSHRALDH1A1LMNA |
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-1246789-A1 | RACEMIC AND OPTICALLY PURE METABOLITES OF SIBUTRAMINE, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE AS DOPAMINE REUPTAKE INHIBITORS | Sepracor Inc. (US) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001051453-A1 | RACEMIC AND OPTICALLY PURE METABOLITES OF SIBUTRAMINE, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE AS DOPAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2001-07-19 | — | — | WO | disclosed |