Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.50 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6944317 | 0.88 | BACE1 (0.47) | BACE1SLC6A11NPC1RAB9ACYP1A2 | |
| SCHEMBL7306846 | 0.88 | BACE1 (0.60) | BACE1SLC6A11BCHE | |
| SCHEMBL10707926 | 0.88 | BACE1 (0.47) | BACE1SLC6A11NPC1RAB9ACYP1A2 | |
| SCHEMBL6944939 | 0.88 | BACE1 (0.47) | BACE1SLC6A11NPC1RAB9ACYP1A2 | |
| SCHEMBL3507689 | 0.88 | CTSC (0.48) | BACE1SLC6A11NPC1RAB9ACYP1A2 | |
| SCHEMBL6944942 | 0.88 | BACE1 (0.47) | BACE1SLC6A11NPC1RAB9ACYP1A2 | |
| SCHEMBL2712697 | 0.88 | BACE1 (0.47) | BACE1SLC6A11NPC1RAB9ACYP1A2 | |
| SCHEMBL3507688 | 0.88 | CTSC (0.48) | BACE1SLC6A11NPC1RAB9ACYP1A2 | |
| SCHEMBL22626791 | 0.88 | TRPA1 (0.54) | BACE1SLC6A11NPC1RAB9ABCHE | |
| SCHEMBL2712694 | 0.88 | BACE1 (0.47) | BACE1SLC6A11NPC1RAB9ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5530124-A | Method for preparing cyclic ureas and their use for the synthesis of HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-06-25 | — | — | US | disclosed |