Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.48 |
| ▸ | CTSL | P07711 | 8/20 | 0.48 |
| ▸ | CTSK | P43235 | 6/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.41 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.41 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.41 |
| ▸ | PSMD12 | O00232 | 1/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.41 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.41 |
| ▸ | PSMD3 | O43242 | 1/20 | 0.41 |
| ▸ | PSMC3 | P17980 | 1/20 | 0.41 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.41 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.41 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.41 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.41 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.41 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.41 |
| ▸ | PSMB4 | P28070 | 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 | |
|---|---|---|---|---|
| SCHEMBL3907310 | 0.85 | CTSS (0.64) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7438088 | 0.85 | CTSS (0.43) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3894949 | 0.82 | CTSS (0.56) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3907700 | 0.80 | CTSS (0.46) | CTSSCTSLCTSKCTSBPSMB1 | |
| SCHEMBL3899392 | 0.79 | CTSL (0.50) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3895827 | 0.78 | CTSS (0.43) | CTSSCTSLCTSKCTSBPSMB1 | |
| SCHEMBL3907693 | 0.77 | CTSS (0.44) | CTSSCTSLCTSKCTSBPSMB1 | |
| SCHEMBL3895384 | 0.76 | CTSC (0.55) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3907304 | 0.75 | CTSS (0.44) | CTSSCTSLCTSKCTSBPSMB1 | |
| SCHEMBL7310650 | 0.74 | ALDH1A1 (0.51) | — |
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 |