Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 4/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.42 |
| ▸ | CTSB | P07858 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL7435732 | 0.92 | CTSL (0.41) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL6565014 | 0.88 | CTSL (0.38) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL6565790 | 0.88 | CTSL (0.40) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL7434282 | 0.88 | CTSL (0.40) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL6565502 | 0.87 | CTSL (0.40) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL7426242 | 0.87 | CTSL (0.41) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL6567023 | 0.86 | CTSL (0.42) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL3903810 | 0.85 | CTSS (0.43) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL7434484 | 0.85 | CTSL (0.38) | CTSLCTSSCTSBCTSKANPEP | |
| SCHEMBL6565027 | 0.85 | CTSL (0.37) | CTSLCTSSCTSBCTSKALDH1A1 |
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 |