Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Selegiline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 11/20 | 1.00 |
| ▸ | MAOA | P21397 | 8/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | ADRA2B | P18089 | 2/20 | 1.00 |
| ▸ | ADRA2C | P18825 | 2/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 2/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 2/20 | 1.00 |
| ▸ | TSHR | P16473 | 2/20 | 1.00 |
| ▸ | ADRA2A | P08913 | 1/20 | 1.00 |
| ▸ | SNCA | P37840 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | PKM | P14618 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.97 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.97 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Selegiline SCHEMBL22232 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL15867136 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL1286950 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL74753 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL12248117 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL41392 | 0.98 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL473659 | 0.98 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL7105217 | 0.97 | MAOB (0.93) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL1171497 | 0.97 | MAOB (0.93) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL4611911 | 0.95 | MAOB (0.90) | MAOBMAOACYP1A2ADRA2BADRA2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8980308-B2 | Transdermal pharmaceutical preparation containing active substance combinations, for treating Parkinson's disease | LTS LOHMANN THERAPIE-SYSTEME AG (DE) | 2015-03-17 | — | — | US | disclosed |
| CN-1960781-A | Therapeutic combination for treatment of alzheimers disease | WARNER LAMBERT CO (US) | 2007-05-09 | — | — | CN | disclosed |
| US-20070026054-A1 | Medicament preparations for transdermal application containing active ingredient combinations for treating parkinson's disease | LTS LOHMANN THERAPIE-SYSTEME AG (DE) | 2007-02-01 | — | — | US | disclosed |
| EP-1737539-A1 | THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE | Warner-Lambert Company LLC (US) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005099823-A1 | THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE | WARNER-LAMBERT COMPANY LLC (US) | 2005-10-27 | — | — | WO | disclosed |
| US-5972376-A | COMPRISING OUTER BACKING LAYER, SELF-ADHESIVE MATRIX, AND REMOVABLE RELEASE LAYER, SAID MATRIX COMPRISING TACRINE AND SELEGILINE AND LOW VOLATILITY SOLVENT FOR USE IN TREATING ALZHEIMER'S DISEASE | HEXAL, A.G. (DE) | 1999-10-26 | — | — | US | disclosed |