Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.56 |
| ▸ | REN | P00797 | 1/20 | 0.54 |
| ▸ | CTSD | P07339 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5508937 | 0.83 | BACE1 (0.60) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL3363906 | 0.76 | BACE1 (0.57) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL1414164 | 0.76 | BACE1 (0.65) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL1414121 | 0.76 | BACE1 (0.65) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL1414166 | 0.76 | BACE1 (0.65) | BACE1RENCTSDKCNH2BACE2 | |
| Cyclohexane Carboxamide SCHEMBL3363911 | 0.74 | BACE1 (0.58) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL3363712 | 0.74 | BACE1 (0.58) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL3365830 | 0.73 | BACE1 (0.60) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL3363563 | 0.73 | BACE1 (0.66) | BACE1RENCTSDKCNH2BACE2 | |
| SCHEMBL3367124 | 0.73 | BACE1 (0.66) | BACE1RENCTSDKCNH2BACE2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776350-A1 | NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006017844-A1 | NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-02-16 | — | — | WO | disclosed |