Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22268975 | 1.00 | ACHE (0.35) | ACHELIPGBACE1CYP19A1PTGS2 | |
| SCHEMBL30727634 | 0.98 | CYP19A1 (0.36) | ACHELIPGBACE1CYP19A1PTGS2 | |
| SCHEMBL5690953 | 0.92 | HDAC1 (0.33) | CYP19A1CHRM1CHRM2CHRM5CHRM3 | |
| SCHEMBL22268803 | 0.86 | MEN1 (0.34) | ALDH1A1LMNATP53CYP3A4HDAC1 | |
| SCHEMBL22268940 | 0.86 | MEN1 (0.34) | ALDH1A1LMNATP53CYP3A4HDAC1 | |
| SCHEMBL22268802 | 0.86 | MEN1 (0.34) | ALDH1A1LMNATP53CYP3A4HDAC1 | |
| SCHEMBL7627177 | 0.83 | — | — | |
| SCHEMBL22268948 | 0.83 | HDAC1 (0.31) | HDAC1 | |
| SCHEMBL11421607 | 0.82 | ACHE (0.36) | ACHELIPGBACE1CYP19A1PTGS2 | |
| SCHEMBL2804615 | 0.82 | ACHE (0.36) | ACHELIPGBACE1CYP19A1PTGS2 |
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-3892375-A1 | FUNCTIONAL STRUCTURE | National University Corporation Hokkaido University (JP) | 2021-10-13 | — | — | EP | disclosed |