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 SCHEMBL74753 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL12248117 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL22232 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL1286950 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL5499736 | 1.00 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL41392 | 0.98 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL473659 | 0.98 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL1171497 | 0.97 | MAOB (0.93) | MAOBMAOACYP1A2ADRA2BADRA2C | |
| Selegiline SCHEMBL7105217 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140193338-A1 | COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM | PIRAMAL IMAGING SA (SE) | 2014-07-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140193338-A1 | COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM | PMP22, MAG, CLN6 | MAOB 56/4885MAOA 294/4885CYP1A2 2238/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.