Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19791222 | 0.83 | BACE1 (0.57) | BACE1KDM1AMAP4K4BACE2 | |
| SCHEMBL19791200 | 0.71 | BACE1 (0.40) | BACE1 | |
| SCHEMBL17260364 | 0.70 | BACE1 (0.73) | BACE1KDM1AADORA2AADORA1 | |
| SCHEMBL15839676 | 0.70 | BACE1 (0.73) | BACE1KDM1AADORA2AADORA1 | |
| SCHEMBL2154026 | 0.67 | CLK4 (0.65) | MAOBMAP4K4CLK4XDH | |
| SCHEMBL12350628 | 0.66 | BACE1 (0.66) | BACE1 | |
| SCHEMBL27787243 | 0.65 | CLK4 (0.63) | MAOBMAP4K4CLK4XDH | |
| SCHEMBL978011 | 0.65 | NTRK1 (0.56) | MAOBMAP4K4CLK4ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL28007259 | 0.64 | CLK4 (0.61) | MAOBMAP4K4CLK4XDH | |
| SCHEMBL11990241 | 0.64 | KDM1A (0.39) | BACE1KDM1A |
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-2935256-B1 | 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL MYERS SQUIBB CO (US) | 2018-01-24 | — | — | EP | disclosed |