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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 8/20 | 0.44 |
| ▸ | MAOA | P21397 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 SCHEMBL7722267 | 0.91 | MAOB (0.39) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7722617 | 0.91 | MAOB (0.39) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7729260 | 0.86 | MAOA (0.33) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7729492 | 0.86 | MAOB (0.40) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7722651 | 0.85 | MAOB (0.61) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7722263 | 0.83 | MAOB (0.35) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7731784 | 0.80 | MAOB (0.35) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7729032 | 0.80 | — | — | |
| Selegiline SCHEMBL7727275 | 0.79 | MAOB (0.50) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL7729309 | 0.79 | MAOB (0.50) | MAOBMAOACYP1A2ADRA2AADRA2B |
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-20100286124-A1 | PROP-2-YN-1-AMINE INHIBITORS OF MONOAMINE OXIDASE TYPE B | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-11-11 | — | — | 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-20100286124-A1 | PROP-2-YN-1-AMINE INHIBITORS OF MONOAMINE OXIDASE TYPE B | MAOB, MAOA, TYR | MAOB 1/4885MAOA 2/4885CYP1A2 55/4885 |
“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.