Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 5/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3653270 | 0.83 | CYP1A2 (0.62) | CYP1A2CYP2D6TSHRCYP3A4MAOB | |
| Desmethylselegiline SCHEMBL27813455 | 0.77 | CYP1A2 (0.93) | CYP1A2CYP2D6TSHRCYP3A4SLC6A4 | |
| Desmethylselegiline SCHEMBL4543249 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2D6TSHRCYP3A4SLC6A4 | |
| Rnordeprenyl SCHEMBL12171086 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2D6TSHRCYP3A4SLC6A4 | |
| Rnordeprenyl SCHEMBL2477570 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2D6TSHRCYP3A4SLC6A4 | |
| SCHEMBL18995778 | 0.76 | SIGMAR1 (0.55) | SLC6A4MAOASIGMAR1EPHX1 | |
| SCHEMBL10062064 | 0.76 | SIGMAR1 (0.55) | SLC6A4MAOASIGMAR1EPHX1 | |
| Rnordeprenyl SCHEMBL2473190 | 0.75 | CYP1A2 (0.96) | CYP1A2CYP2D6TSHRCYP3A4SLC6A4 | |
| Rnordeprenyl SCHEMBL29015119 | 0.75 | CYP1A2 (0.96) | CYP1A2CYP2D6TSHRCYP3A4SLC6A4 | |
| Desmethylselegiline SCHEMBL27813529 | 0.75 | CYP1A2 (0.96) | CYP1A2CYP2D6TSHRCYP3A4SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2450332-A1 | Compounds for use in Imaging, diagnosing and/or treatment of diseases of the central nervous system (F-D2-Deprenyl) | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-09 | — | — | EP | disclosed |