Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.43 |
| ▸ | ITGAL | P20701 | 3/20 | 0.43 |
| ▸ | MME | P08473 | 4/20 | 0.42 |
| ▸ | ACE | P12821 | 4/20 | 0.42 |
| ▸ | CPA1 | P15085 | 3/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 3/20 | 0.42 |
| ▸ | FPR2 | P25090 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL16267725 | 1.00 | CTSS (0.55) | CTSSCTSKPPARGPPARAALDH1A1 | |
| SCHEMBL2780646 | 1.00 | CTSS (0.55) | CTSSCTSKPPARGPPARAALDH1A1 | |
| SCHEMBL16267699 | 0.88 | CTSS (0.52) | CTSSCTSKALDH1A1KMT2A | |
| SCHEMBL9849180 | 0.88 | CTSS (0.52) | CTSSCTSKALDH1A1KMT2A | |
| SCHEMBL9849175 | 0.88 | CTSS (0.52) | CTSSCTSKALDH1A1KMT2A | |
| SCHEMBL3560345 | 0.86 | CTSS (0.73) | CTSSCTSKPPARGPPARAACE | |
| SCHEMBL3560344 | 0.86 | CTSS (0.73) | CTSSCTSKPPARGPPARAACE | |
| SCHEMBL21243755 | 0.86 | CTSS (0.73) | CTSSCTSKPPARGPPARAACE | |
| SCHEMBL29363717 | 0.86 | CTSS (0.73) | CTSSCTSKPPARGPPARAACE | |
| SCHEMBL2153481 | 0.85 | CTSS (0.48) | CTSSCTSKPPARGPPARAITGB2 |
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-0421436-A2 | Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |