Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.34 |
| ▸ | CTSD | P07339 | 4/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21527942 | 0.84 | PSEN1 (0.33) | KDM1A | |
| Hydrochloric Acid SCHEMBL21527849 | 0.76 | BACE1 (0.36) | BACE1CTSDKDM1ABACE2 | |
| Hydrochloric Acid SCHEMBL21527799 | 0.71 | CHRNA1 (0.32) | — | |
| SCHEMBL21527888 | 0.64 | BACE1 (0.37) | BACE1CTSDKDM1ABACE2 | |
| SCHEMBL27890605 | 0.63 | BACE1 (0.32) | BACE1BACE2 | |
| SCHEMBL27854041 | 0.63 | BACE1 (0.36) | BACE1CTSDBACE2 | |
| SCHEMBL16119518 | 0.62 | BACE1 (0.43) | BACE1CTSDBACE2 | |
| SCHEMBL27921961 | 0.62 | BACE1 (0.40) | BACE1CTSDBACE2 | |
| SCHEMBL27921953 | 0.62 | BACE1 (0.40) | BACE1CTSDBACE2 | |
| SCHEMBL27940566 | 0.62 | BACE1 (0.40) | BACE1CTSDBACE2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |