Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7862053 | 0.84 | BACE1 (0.39) | BACE1BACE2ALDH1A1CNR1HCAR3 | |
| SCHEMBL8106827 | 0.84 | BACE1 (0.39) | BACE1BACE2ALDH1A1CNR1HCAR3 | |
| SCHEMBL6151991 | 0.84 | BACE1 (0.35) | BACE1BACE2ALDH1A1CNR1HCAR3 | |
| SCHEMBL6942603 | 0.84 | BACE1 (0.39) | BACE1BACE2ALDH1A1CNR1HCAR3 | |
| SCHEMBL8723263 | 0.81 | HSD11B1 (0.38) | BACE1ALDH1A1CNR1HCAR3HCAR2 | |
| SCHEMBL9005074 | 0.81 | HSD11B1 (0.38) | BACE1ALDH1A1CNR1HCAR3HCAR2 | |
| SCHEMBL8805782 | 0.81 | BACE1 (0.38) | BACE1BACE2ALDH1A1HCAR3HCAR2 | |
| SCHEMBL17832416 | 0.77 | BACE1 (0.36) | BACE1BACE2ALDH1A1CNR1CTSD | |
| SCHEMBL8915328 | 0.75 | NPSR1 (0.44) | KMT2AALDH1A1CNR1HCAR3HCAR2 | |
| SCHEMBL20970626 | 0.75 | ALDH1A1 (0.38) | BACE1ALDH1A1CNR1HCAR3HCAR2 |
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-2788343-B1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS (NC) INC (US) | 2018-02-28 | — | — | EP | disclosed |