Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9556792 | 0.91 | SPHK1 (0.31) | BACE1CTSDSPHK1CTSSCTSK | |
| SCHEMBL9556491 | 0.90 | SPHK1 (0.32) | BACE1CTSDSPHK1CTSSCTSK | |
| SCHEMBL9556423 | 0.89 | — | — | |
| SCHEMBL9556395 | 0.89 | — | — | |
| SCHEMBL9556614 | 0.88 | SPHK1 (0.33) | BACE1CTSDSPHK1NR1H2 | |
| SCHEMBL10531006 | 0.87 | EPHX1 (0.33) | BACE1CTSDSPHK1CTSSCTSK | |
| SCHEMBL9556634 | 0.86 | — | — | |
| SCHEMBL9556483 | 0.85 | BACE1 (0.33) | BACE1CTSDSPHK1CTSSCTSK | |
| SCHEMBL9556570 | 0.85 | BACE1 (0.33) | BACE1CTSDSPHK1CTSSCTSK | |
| SCHEMBL7295750 | 0.85 | KMT2A (0.30) | — |
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-0546115-A1 | PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS | THE UPJOHN COMPANY (US) | 1993-06-16 | — | — | EP | disclosed |
| WO-1992003472-A1 | PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS | THE UPJOHN COMPANY (US) | 1992-03-05 | — | — | WO | disclosed |