Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | GCK | P35557 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8039107 | 0.77 | TSHR (0.36) | MAOAMAOBSLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8046455 | 0.77 | SLC6A3 (0.38) | ARCTSLMAOAMAOBSLC6A3 | |
| SCHEMBL8040904 | 0.70 | SLC6A3 (0.46) | PKMMAOAMAOBSLC6A3SLC6A2 | |
| SCHEMBL10419003 | 0.69 | XDH (0.50) | ARXDH | |
| SCHEMBL9447132 | 0.69 | MAOA (0.33) | CTSLMAOAMAOB | |
| SCHEMBL9447369 | 0.66 | AR (0.33) | AR | |
| SCHEMBL9447297 | 0.65 | MAOA (0.39) | ARMAOAMAOB | |
| SCHEMBL8849052 | 0.65 | TRPV4 (0.36) | — | |
| SCHEMBL9447356 | 0.64 | AR (0.32) | AR | |
| SCHEMBL8042705 | 0.64 | SLC6A3 (0.43) | PKMSLC6A3SLC6A2SLC6A4 |
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-5211878-A | Difluorobenzonitrile derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-18 | — | — | US | disclosed |