Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | BACE1 | P56817 | 2/20 | 0.50 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CSK | P41240 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30453035 | 0.92 | BACE1 (0.60) | KMT2AROCK2BACE1HDAC8POLB | |
| SCHEMBL8129373 | 0.92 | BACE1 (0.60) | KMT2AROCK2BACE1HDAC8POLB | |
| SCHEMBL27894404 | 0.92 | BACE1 (0.60) | KMT2AROCK2BACE1HDAC8POLB | |
| SCHEMBL4521918 | 0.88 | GPR142 (0.64) | GAAMAPK1KMT2AROCK2GPR142 | |
| SCHEMBL4523463 | 0.88 | GPR142 (0.64) | GAAMAPK1KMT2AROCK2GPR142 | |
| SCHEMBL18492855 | 0.85 | CSK (0.47) | GAAMAPK1KMT2AGPR142CSK | |
| SCHEMBL4930854 | 0.83 | GAA (0.66) | GAAMAPK1KMT2AHDAC8ALDH1A1 | |
| SCHEMBL4930833 | 0.83 | GAA (0.66) | GAAMAPK1KMT2AHDAC8ALDH1A1 | |
| SCHEMBL29410393 | 0.83 | ALDH1A1 (0.53) | GAAMAPK1KMT2AROCK2ALDH1A1 | |
| SCHEMBL28714741 | 0.83 | ALDH1A1 (0.53) | GAAMAPK1KMT2AROCK2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | claimed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | claimed |