Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9958432 | 1.00 | BACE1 (0.44) | BACE1APPADRA2APNMTADRA2B | |
| SCHEMBL9959180 | 0.86 | BACE1 (0.46) | BACE1APP | |
| SCHEMBL29830 | 0.86 | BACE1 (0.46) | BACE1APP | |
| SCHEMBL19568064 | 0.80 | BACE1 (0.51) | BACE1APPADRA2APNMTADRA2B | |
| SCHEMBL1464631 | 0.79 | BACE1 (0.47) | BACE1APPCHRM2CHRM4CHRM5 | |
| SCHEMBL1465376 | 0.79 | BACE1 (0.47) | BACE1APPCHRM2CHRM4CHRM5 | |
| SCHEMBL18916718 | 0.76 | BACE1 (0.38) | BACE1APPCYP1A2CYP11B1CYP11B2 | |
| SCHEMBL9958466 | 0.76 | BACE1 (0.40) | BACE1APPADRA2APNMTADRA2B | |
| SCHEMBL31076 | 0.76 | BACE1 (0.40) | BACE1APPADRA2APNMTADRA2B | |
| SCHEMBL30562 | 0.74 | BACE1 (0.49) | BACE1 |
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-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |