Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 3/20 | 0.59 |
| ▸ | BACE1 | P56817 | 10/20 | 0.57 |
| ▸ | CTSB | P07858 | 2/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.56 |
| ▸ | CTSS | P25774 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8769560 | 0.94 | CTSD (0.65) | CTSDBACE1CTSBCTSLCTSS | |
| SCHEMBL8769497 | 0.88 | REN (0.59) | CTSDCTSBCTSLCTSSMEN1 | |
| SCHEMBL8770005 | 0.86 | CTSB (0.60) | CTSDCTSBCTSLCTSSMEN1 | |
| SCHEMBL8769526 | 0.85 | CTSL (0.63) | CTSDCTSBCTSLCTSSMEN1 | |
| SCHEMBL16463050 | 0.84 | PSMB1 (0.57) | CTSDBACE1PSMB1ALDH1A1CYP3A4 | |
| SCHEMBL16463052 | 0.84 | PSMB1 (0.57) | CTSDBACE1PSMB1ALDH1A1CYP3A4 | |
| SCHEMBL16463049 | 0.84 | PSMB1 (0.57) | CTSDBACE1PSMB1ALDH1A1CYP3A4 | |
| SCHEMBL16463054 | 0.84 | PSMB1 (0.57) | CTSDBACE1PSMB1ALDH1A1CYP3A4 | |
| SCHEMBL7269133 | 0.83 | CTSB (0.65) | CTSDCTSBCTSLCTSSMEN1 | |
| SCHEMBL6448856 | 0.83 | CTSB (0.65) | CTSDCTSBCTSLCTSSMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0793673-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN L INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016079-A2 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN L INHIBITOR | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1996-05-30 | — | — | WO | disclosed |