Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7516869 | 0.91 | BACE1 (0.55) | BACE1HDAC6ATML3MBTL1MEN1 | |
| SCHEMBL8265141 | 0.89 | BACE1 (0.49) | BACE1HDAC6ATML3MBTL1MEN1 | |
| SCHEMBL17568772 | 0.88 | BACE1 (0.42) | BACE1HDAC6ATML3MBTL1ELANE | |
| SCHEMBL7524106 | 0.84 | BACE1 (0.67) | BACE1HDAC6L3MBTL1CYP2C19 | |
| SCHEMBL13722748 | 0.83 | BACE1 (0.50) | BACE1MEN1ALDH1A1KMT2AFPR2 | |
| SCHEMBL7517002 | 0.81 | SMN1; SMN2 (0.50) | BACE1L3MBTL1MEN1ALDH1A1KMT2A | |
| SCHEMBL7524743 | 0.81 | BACE1 (0.58) | BACE1CNR1MEN1KMT2AFPR2 | |
| SCHEMBL10305492 | 0.79 | BACE1 (0.46) | BACE1HDAC6L3MBTL1ALDH1A1 | |
| SCHEMBL7516805 | 0.74 | BACE1 (0.47) | BACE1HDAC6ATML3MBTL1ELANE | |
| SCHEMBL7527379 | 0.74 | BACE1 (0.51) | BACE1HDAC6ATMMEN1KMT2A |
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 |