Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1827596 | 0.88 | BACE1 (0.37) | KDM4EMEN1KMT2ALMNADYRK3 | |
| SCHEMBL1830168 | 0.72 | BACE1 (0.43) | HSD11B1 | |
| SCHEMBL1822743 | 0.72 | CYP2D6 (0.30) | TSHRMEN1CYP1A2KMT2ACYP2D6 | |
| SCHEMBL1828675 | 0.71 | BACE1 (0.34) | — | |
| SCHEMBL1828991 | 0.65 | BACE1 (0.42) | MEN1KMT2AHSD11B1 | |
| SCHEMBL9378722 | 0.63 | BACE1 (0.43) | CYP3A4 | |
| SCHEMBL11009062 | 0.63 | KDM4E (0.39) | KDM4ETSHRMEN1CYP1A2KMT2A | |
| SCHEMBL27281924 | 0.61 | SIGMAR1 (0.45) | TSHRMEN1CYP1A2KMT2ACYP2D6 | |
| SCHEMBL6837134 | 0.61 | ESR1 (0.36) | TSHRMEN1CYP1A2KMT2ATDP1 | |
| SCHEMBL9182623 | 0.57 | HCAR3 (0.42) | TSHRMEN1CYP1A2KMT2APOLB |
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 |