Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL17455947 | 0.77 | CYP46A1 (0.62) | CYP46A1TSHRALDH1A1LMNASLC6A7 | |
| SCHEMBL17455930 | 0.75 | LSS (0.57) | CYP46A1TSHRALDH1A1KDM4EMEN1 | |
| SCHEMBL17455971 | 0.75 | CYP46A1 (0.64) | CYP46A1TSHRALDH1A1KDM4EKMT2A | |
| SCHEMBL14840778 | 0.65 | CYP46A1 (1.00) | CYP46A1CYP2C9CYP2C19 | |
| SCHEMBL22719130 | 0.65 | MLNR (0.57) | CYP46A1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL29453745 | 0.65 | MLNR (0.57) | CYP46A1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL14841044 | 0.64 | SLC6A3 (0.51) | CYP46A1TSHRALDH1A1KDM4EKMT2A | |
| SCHEMBL14849017 | 0.64 | CYP46A1 (1.00) | CYP46A1TSHRALDH1A1LMNASLC6A7 | |
| SCHEMBL17456047 | 0.64 | LSS (0.53) | CYP46A1TSHRALDH1A1KDM4ELMNA | |
| SCHEMBL17505980 | 0.63 | LSS (0.70) | CYP46A1TSHRALDH1A1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2982666-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-02-10 | — | — | EP | disclosed |