Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CTSS | P25774 | 8/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6962099 | 0.85 | MAPT (0.39) | CTSBMAPTHPGDALDH1A1CTSS | |
| SCHEMBL5361393 | 0.83 | CTSS (0.44) | CTSLMAPTHPGDALDH1A1CTSS | |
| SCHEMBL6105577 | 0.77 | CTSS (0.64) | CTSBCTSLCTSSCTSK | |
| SCHEMBL5361386 | 0.75 | CTSS (0.33) | CTSBCTSLCTSSCTSK | |
| SCHEMBL6836051 | 0.73 | CTSL (0.53) | CTSBCTSLMAPTHPGDALDH1A1 | |
| SCHEMBL6965443 | 0.73 | CTSS (0.54) | CTSBCTSLMAPTHPGDALDH1A1 | |
| SCHEMBL6961684 | 0.73 | CTSS (0.53) | CTSBCTSLHPGDCTSSCTSK | |
| SCHEMBL6063791 | 0.72 | CTSL (0.51) | CTSBCTSLMAPTHPGDALDH1A1 | |
| SCHEMBL6972946 | 0.71 | CTSS (0.59) | CTSBCTSLHPGDALDH1A1CTSS | |
| SCHEMBL6972509 | 0.70 | CTSS (0.46) | CTSBCTSLHPGDALDH1A1CTSS |
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 |