Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 7/20 | 0.44 |
| ▸ | CTSK | P43235 | 6/20 | 0.44 |
| ▸ | CTSB | P07858 | 3/20 | 0.44 |
| ▸ | APP | P05067 | 4/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4656418 | 0.91 | APP (0.43) | ATMSYKCTSSCTSKCTSB | |
| SCHEMBL4657113 | 0.87 | SYK (0.60) | ATMSYKCTSSCTSKCTSB | |
| SCHEMBL4657191 | 0.84 | APP (0.40) | ATMSYKCTSKAPPCTSL | |
| SCHEMBL4657364 | 0.81 | ATM (0.46) | ATMCTSSCTSKCTSBAPP | |
| SCHEMBL4657531 | 0.80 | ATM (0.46) | ATMCTSSCTSKCTSBAPP | |
| SCHEMBL4656413 | 0.80 | SYK (0.51) | ATMSYKCTSKAPPCTSL | |
| SCHEMBL10657017 | 0.77 | ACE (0.57) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL10657027 | 0.77 | ACE (0.57) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL4656157 | 0.77 | ATM (0.43) | ATMCTSSCTSKCTSBAPP | |
| SCHEMBL29333309 | 0.74 | ATM (0.60) | ATMSYKCTSSCTSKCTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1006122-B1 | PHENETHYLAMINE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-6255285-B1 | GASTROINTESTINAL DISORDERS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-1006122-A1 | PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-06-07 | — | — | EP | disclosed |