Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3511403 | 0.82 | BACE1 (0.50) | BACE1ADRB2OPRD1OPRK1BCHE | |
| SCHEMBL3511401 | 0.82 | BACE1 (0.50) | BACE1ADRB2OPRD1OPRK1BCHE | |
| SCHEMBL14364960 | 0.71 | EPHX1 (0.52) | EPHX1 | |
| SCHEMBL5126317 | 0.71 | CHRM2 (0.58) | MEN1KMT2ABCHE | |
| SCHEMBL29638785 | 0.70 | EPHX1 (0.53) | EPHX1 | |
| SCHEMBL7247384 | 0.70 | MAOA (0.58) | MEN1KMT2AEPHX1 | |
| SCHEMBL8062321 | 0.69 | DRD4 (0.41) | OPRD1OPRK1MEN1KMT2AEPHX1 | |
| SCHEMBL5117524 | 0.68 | HTR2A (0.55) | BACE1OPRK1MEN1KMT2ABCHE | |
| SCHEMBL5121508 | 0.68 | POLB (0.43) | OPRD1OPRK1MEN1MITFKMT2A | |
| SCHEMBL18034347 | 0.68 | EPHX1 (0.80) | EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |