Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.45 |
| ▸ | CTSL | P07711 | 4/20 | 0.45 |
| ▸ | CTSB | P07858 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 4/20 | 0.45 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6567349 | 0.90 | CTSS (0.47) | CTSSCTSLCTSBCTSKUTS2R | |
| SCHEMBL6565429 | 0.84 | CTSL (0.40) | CTSSCTSLCTSBCTSKUTS2R | |
| SCHEMBL3894952 | 0.84 | CTSL (0.54) | CTSSCTSLCTSBCTSKUTS2R | |
| SCHEMBL3894949 | 0.79 | CTSS (0.56) | CTSSCTSLCTSBCTSKANPEP | |
| SCHEMBL6565039 | 0.78 | CTSS (0.46) | CTSSCTSLCTSBCTSKUTS2R | |
| SCHEMBL6567343 | 0.77 | UTS2R (0.42) | CTSSCTSLCTSBCTSKUTS2R | |
| SCHEMBL3899392 | 0.76 | CTSL (0.50) | CTSSCTSLCTSBCTSKMMP8 | |
| SCHEMBL7310650 | 0.76 | ALDH1A1 (0.51) | MMP8PPARGPPARAANPEPMEN1 | |
| SCHEMBL3907700 | 0.75 | CTSS (0.46) | CTSSCTSLCTSBCTSKUTS2R | |
| SCHEMBL3895384 | 0.75 | CTSC (0.55) | CTSSCTSLCTSBCTSKPPARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |