Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 15/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6063791 | 0.84 | CTSL (0.51) | CTSSCTSLCTSBHPGDALDH1A1 | |
| SCHEMBL6972946 | 0.83 | CTSS (0.59) | CTSSCTSLCTSBHPGDALDH1A1 | |
| SCHEMBL6836051 | 0.81 | CTSL (0.53) | CTSSCTSLCTSBHPGDALDH1A1 | |
| SCHEMBL6965440 | 0.81 | CTSS (0.54) | CTSSCTSL | |
| SCHEMBL6972509 | 0.80 | CTSS (0.46) | CTSSCTSLCTSBHPGDALDH1A1 | |
| SCHEMBL6961684 | 0.79 | CTSS (0.53) | CTSSCTSLCTSBHPGD | |
| SCHEMBL5357230 | 0.78 | CTSS (0.64) | CTSSCTSL | |
| SCHEMBL5364170 | 0.78 | CTSS (0.64) | CTSSCTSL | |
| SCHEMBL5356436 | 0.77 | CTSS (0.65) | CTSSCTSL | |
| SCHEMBL5357989 | 0.77 | CTSS (0.55) | CTSSCTSLCTSB |
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-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | disclosed |