Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 5/20 | 0.52 |
| ▸ | CTSD | P07339 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 7/20 | 0.49 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310941 | 0.90 | BACE1 (0.56) | CTRB1BACE1SLC6A11 | |
| SCHEMBL18740554 | 0.86 | BACE1 (0.67) | CTSDBACE1SLC6A11BACE2 | |
| SCHEMBL6809872 | 0.85 | CTRB1 (0.55) | NPC1RAB9ACTRB1CTSLCTSS | |
| SCHEMBL6814426 | 0.85 | CTRB1 (0.55) | NPC1RAB9ACTRB1CTSLCTSS | |
| SCHEMBL6500684 | 0.84 | CTRB1 (0.54) | NPC1RAB9ACTRB1BACE1CTSL | |
| SCHEMBL6501344 | 0.84 | CTRB1 (0.54) | NPC1RAB9ACTRB1BACE1CTSL | |
| SCHEMBL6931878 | 0.83 | CTRB1 (0.59) | NPC1RAB9ACTRB1CTSLCTSS | |
| SCHEMBL14425866 | 0.81 | CTRB1 (0.51) | NPC1RAB9ASMN1; SMN2CTRB1BACE1 | |
| Hydrochloric Acid SCHEMBL5395908 | 0.80 | BACE1 (0.54) | NPC1RAB9ACTSDBACE1BACE2 | |
| Hydrochloric Acid SCHEMBL5386980 | 0.80 | BACE1 (0.52) | CTSDBACE1BACE2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5776933-A | Method of inhibiting protease | E. R. SQUIBB & SONS, INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5760036-A | ENZYME INHIBITORS OF RETROVIRAL PROTEASE FOR PREVENTION OF AIDS | E. R. SQUIBB & SONS, INC. (US) | 1998-06-02 | — | — | US | disclosed |