Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7512656 | 0.86 | ALDH1A1 (0.46) | BACE1POLBALDH1A1SMN1; SMN2CTSD | |
| SCHEMBL8289351 | 0.85 | BACE1 (0.40) | BACE1ALDH1A1SMN1; SMN2MAPTCTSD | |
| SCHEMBL7518136 | 0.84 | BACE1 (0.40) | BACE1ALDH1A1CTSDKMT2AOPRM1 | |
| SCHEMBL7512357 | 0.82 | ALDH1A1 (0.49) | BACE1POLBALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL7512798 | 0.82 | BACE1 (0.40) | BACE1CTSDMEN1OPRM1OPRL1 | |
| SCHEMBL7513207 | 0.82 | BACE1 (0.37) | BACE1CTSDKMT2A | |
| SCHEMBL7512580 | 0.82 | BACE1 (0.65) | BACE1ALDH1A1GRM2CTSDMEN1 | |
| SCHEMBL7518711 | 0.82 | BACE1 (0.48) | BACE1GRM2CTSD | |
| SCHEMBL7518412 | 0.82 | BACE1 (0.65) | BACE1ALDH1A1GRM2CTSDMEN1 | |
| SCHEMBL12410201 | 0.81 | BACE1 (0.53) | BACE1ALDH1A1GRM2CTSDMEN1 |
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-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |