Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 4/20 | 0.38 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 3/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL6565853 | 0.88 | CTSL (0.42) | CTSLCTSBCTSSCTSKS1PR4 | |
| SCHEMBL6565502 | 0.84 | CTSL (0.40) | CTSLCTSBCTSSCTSKMAPT | |
| SCHEMBL7021565 | 0.83 | CTSK (0.51) | CTSLCTSBCTSSCTSKREN | |
| SCHEMBL6565790 | 0.83 | CTSL (0.40) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL7434282 | 0.83 | CTSL (0.40) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL3892419 | 0.83 | CTSL (0.37) | CTSLCTSBCTSSCTSKREN | |
| SCHEMBL7435732 | 0.82 | CTSL (0.41) | CTSLCTSBCTSSCTSKS1PR4 | |
| SCHEMBL6567023 | 0.81 | CTSL (0.42) | CTSLCTSBCTSSCTSKS1PR4 | |
| SCHEMBL7434484 | 0.80 | CTSL (0.38) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL6565456 | 0.80 | ACHE (0.38) | CTSLCTSBCTSSCTSKACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |