Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL12077605 | 1.00 | KCNN4 (0.39) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| SCHEMBL17118587 | 0.89 | KCNN4 (0.37) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| SCHEMBL15536032 | 0.86 | KCNN4 (0.42) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| SCHEMBL15602054 | 0.86 | KCNN4 (0.42) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL16833856 | 0.85 | KCNN4 (0.41) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL18185126 | 0.85 | KCNN4 (0.41) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| SCHEMBL12077509 | 0.81 | KCNN4 (0.35) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| SCHEMBL434166 | 0.79 | GABRA1 (0.38) | ALDH1A1TSHRTDP1CTNNB1WNT3A | |
| SCHEMBL21058252 | 0.79 | KCNN4 (0.38) | KCNN4KCNE1KCNQ1HDAC3HDAC1 | |
| SCHEMBL18683297 | 0.78 | KCNN4 (0.39) | KCNN4KCNE1KCNQ1KIF11ALDH1A1 |
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-2864324-B1 | DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2018-03-28 | — | — | EP | disclosed |