Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 8/20 | 0.45 |
| ▸ | CTSK | P43235 | 7/20 | 0.45 |
| ▸ | CTSB | P07858 | 4/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4656092 | 1.00 | CTSS (0.45) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL4657429 | 0.84 | NPC1 (0.39) | — | |
| SCHEMBL4657436 | 0.84 | NPC1 (0.39) | — | |
| SCHEMBL7947409 | 0.83 | ACACB (0.33) | CTSSCTSKCTSBPTPN1 | |
| SCHEMBL4657546 | 0.81 | ABCB1 (0.40) | CTSSCTSKCTSBCTSL | |
| SCHEMBL7947407 | 0.80 | ADRA1A (0.33) | — | |
| SCHEMBL3989384 | 0.79 | CTSS (0.40) | CTSSCTSKCTSBCTSLREN | |
| SCHEMBL3986370 | 0.79 | CTSS (0.40) | CTSSCTSKCTSBPTPN1 | |
| SCHEMBL3987520 | 0.77 | CTSL (0.41) | CTSSCTSKCTSBCTSL | |
| SCHEMBL10657017 | 0.77 | ACE (0.57) | CTSSCTSKCTSBCTSLACE |
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 2 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 |