Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL8672 | 0.80 | CYP1A2 (0.57) | ERN1ALDH1A1BACE1HTTCYP2A6 | |
| SCHEMBL790844 | 0.80 | BACE1 (0.50) | ERN1ALDH1A1BACE1HTTCYP2A6 | |
| SCHEMBL19330294 | 0.80 | ALDH1A1 (0.47) | ERN1ALDH1A1BACE1CYP2A6CYP1A2 | |
| SCHEMBL28980933 | 0.78 | TDP1 (0.52) | ERN1ALDH1A1HTTCYP1A2CYP2D6 | |
| SCHEMBL30081463 | 0.77 | ALDH1A1 (0.58) | ERN1ALDH1A1HTTCYP1A2CYP2C19 | |
| SCHEMBL715554 | 0.77 | ALDH1A1 (0.58) | ERN1ALDH1A1HTTCYP1A2CYP2C19 | |
| SCHEMBL8354251 | 0.76 | GRM1 (0.50) | PSMB5CASP3ALDH1A1BACE1HTT | |
| SCHEMBL11096 | 0.76 | CDK2 (0.40) | PSMB5ERN1ALDH1A1BACE1CYP2A6 | |
| SCHEMBL2852989 | 0.76 | PSMB5 (0.48) | PSMB5CASP3ALDH1A1BACE1HTT | |
| SCHEMBL11584110 | 0.76 | ALDH1A1 (0.58) | PSMB5CASP3ALDH1A1BACE1HTT |
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-2011063233-A1 | AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2011-05-26 | — | — | WO | disclosed |