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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL7727733 | 0.91 | MAOA (0.30) | — | |
| Selegiline SCHEMBL7731784 | 0.88 | MAOB (0.35) | — | |
| Selegiline SCHEMBL7729778 | 0.88 | — | — | |
| Selegiline SCHEMBL7722099 | 0.84 | MAOA (0.31) | — | |
| Selegiline SCHEMBL7727283 | 0.84 | — | — | |
| Selegiline SCHEMBL7729260 | 0.82 | MAOA (0.33) | — | |
| Selegiline SCHEMBL7730948 | 0.81 | — | — | |
| Selegiline SCHEMBL7722421 | 0.81 | MAOB (0.42) | — | |
| Selegiline SCHEMBL7722132 | 0.79 | — | — | |
| Selegiline SCHEMBL7729492 | 0.79 | MAOB (0.40) | — |
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 |