Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 7/20 | 0.59 |
| ▸ | BACE1 | P56817 | 10/20 | 0.56 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8735254 | 0.91 | BACE1 (0.53) | BCHEBACE1SLC6A11 | |
| SCHEMBL8732160 | 0.89 | BACE1 (0.46) | BCHEBACE1SLC6A11 | |
| SCHEMBL8729433 | 0.88 | BCHE (0.43) | BCHEBACE1SLC6A11 | |
| SCHEMBL8734448 | 0.87 | BCHE (0.65) | BCHEBACE1SLC6A11 | |
| SCHEMBL8735226 | 0.86 | BACE1 (0.44) | BCHEBACE1SLC6A11 | |
| SCHEMBL8734441 | 0.86 | CTSD (0.44) | BCHEBACE1SLC6A11 | |
| SCHEMBL8984684 | 0.86 | ADORA3 (0.42) | BCHEBACE1ADORA3ADORA2AADORA2B | |
| SCHEMBL9050282 | 0.84 | ADORA3 (0.42) | BCHEBACE1ADORA3ADORA2AADORA2B | |
| SCHEMBL8729328 | 0.84 | BACE1 (0.50) | BCHEBACE1SLC6A11 | |
| SCHEMBL6251415 | 0.82 | PSEN1 (0.44) | BCHEADORA3ADORA2AADORA2BADORA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5708004-A | ENZYME INHIBITORS FOR TREATMENT OF AIDS | MONSANTO COMPANY (US) | 1998-01-13 | — | — | US | disclosed |
| US-5703076-A | TREATING HIV, AIDS | G. D. SEARLE & CO. (US) | 1997-12-30 | — | — | US | disclosed |
| US-5698569-A | Retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5510349-A | HUMAN IMMUNODEFICIENCY VIRUS | G.D. SEARLE & CO. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5510378-A | Retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5510487-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 1996-04-23 | — | — | US | disclosed |