Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lofexidine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 15/20 | 0.65 |
| ▸ | ADRA2B known ✓ | P18089 | 15/20 | 0.65 |
| ▸ | ADRA2C known ✓ | P18825 | 15/20 | 0.65 |
| ▸ | HTR1A | P08908 | 9/20 | 0.65 |
| ▸ | NISCH | Q9Y2I1 | 4/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | THRB | P10828 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.65 |
| ▸ | THPO | P40225 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Cirazoline SCHEMBL126496 | 0.81 | NISCH (1.00) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Cirazoline SCHEMBL29430417 | 0.81 | NISCH (1.00) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Cirazoline SCHEMBL3176595 | 0.79 | LMNA (1.00) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Cirazoline SCHEMBL466850 | 0.79 | LMNA (1.00) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Dexlofexidine SCHEMBL124602 | 0.78 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Levlofexidine SCHEMBL947241 | 0.78 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Lofexidine SCHEMBL48960 | 0.78 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Lofexidine SCHEMBL3500726 | 0.77 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Lofexidine SCHEMBL22616208 | 0.77 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CHTR1ANISCH | |
| Lofexidine SCHEMBL124601 | 0.77 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CHTR1ANISCH |
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-2173720-A2 | 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) | F. Hoffmann-Roche AG (CH) | 2010-04-14 | — | — | EP | claimed |
| WO-2009003868-A2 | 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-08 | — | — | WO | claimed |