Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.62 |
| ▸ | CTSS | P25774 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4750042 | 0.87 | CTSS (0.61) | BACE1CTSSCTSK | |
| SCHEMBL14102602 | 0.86 | CYP3A4 (0.57) | BACE1CTSSCTSKCA2 | |
| SCHEMBL8897259 | 0.86 | ALDH1A1 (0.63) | BACE1CTSSCTSKCA2 | |
| SCHEMBL10276787 | 0.84 | CA2 (0.55) | BACE1CTSSCTSKCA2 | |
| SCHEMBL10276786 | 0.84 | CA2 (0.55) | BACE1CTSSCTSKCA2 | |
| SCHEMBL27820614 | 0.83 | CA2 (0.54) | BACE1CTSSCTSKCA2 | |
| SCHEMBL1752665 | 0.83 | CTSS (0.57) | BACE1CTSSCTSKCA2 | |
| SCHEMBL30908754 | 0.82 | CTSS (0.48) | BACE1CTSSCTSK | |
| SCHEMBL29244926 | 0.82 | CTSS (0.48) | BACE1CTSSCTSK | |
| SCHEMBL481947 | 0.81 | RAB9A (0.58) | — |
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-1990000399-A1 | RETROVIRAL PROTEASE BINDING PEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1990-01-25 | — | — | WO | disclosed |
| EP-0352000-A2 | Retroviral protease binding peptides | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-24 | — | — | EP | disclosed |