Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 2/20 | 0.30 |
| ▸ | PGR | P06401 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19033574 | 1.00 | BACE1 (0.36) | BACE1GRM5BACE2ALDH1A1MCHR1 | |
| SCHEMBL10329916 | 0.95 | BACE1 (0.40) | BACE1GRM5BACE2MCHR1PGR | |
| SCHEMBL10329093 | 0.95 | BACE1 (0.40) | BACE1GRM5BACE2MCHR1PGR | |
| SCHEMBL10328582 | 0.86 | GRM5 (0.32) | BACE1GRM5BACE2RORC | |
| SCHEMBL15721339 | 0.86 | BACE1 (0.32) | BACE1BACE2 | |
| SCHEMBL10328658 | 0.86 | BACE1 (0.32) | BACE1BACE2 | |
| SCHEMBL17850142 | 0.86 | GRM5 (0.32) | BACE1GRM5BACE2RORC | |
| SCHEMBL15895106 | 0.83 | MAPT (0.38) | ALDH1A1SIRT2 | |
| SCHEMBL10328585 | 0.83 | MAPT (0.38) | ALDH1A1SIRT2 | |
| SCHEMBL10328588 | 0.83 | BACE1 (0.30) | BACE1BACE2 |
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-3034080-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2016-06-22 | — | — | EP | disclosed |