Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.39 |
| ▸ | CTSD | P07339 | 7/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1831618 | 0.87 | BACE1 (0.39) | BACE1CTSDHCAR2HSD11B1 | |
| SCHEMBL1827904 | 0.81 | BACE1 (0.40) | BACE1CTSDHCAR2 | |
| SCHEMBL1829080 | 0.80 | BACE1 (0.39) | BACE1CTSD | |
| SCHEMBL1829335 | 0.74 | BACE1 (0.44) | BACE1CTSDHCAR2HSD11B1 | |
| SCHEMBL1826421 | 0.74 | BACE1 (0.47) | BACE1CTSDHSD11B1 | |
| SCHEMBL1828227 | 0.73 | BACE1 (0.40) | BACE1CTSDAPPCYP3A4CYP2C19 | |
| SCHEMBL2375695 | 0.69 | BACE1 (0.54) | BACE1CTSD | |
| SCHEMBL2376232 | 0.69 | BACE1 (0.54) | BACE1CTSD | |
| SCHEMBL2375445 | 0.69 | BACE1 (0.54) | BACE1CTSD | |
| SCHEMBL12246431 | 0.69 | BACE1 (0.50) | BACE1CTSDKMT2ASMN1; SMN2 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |