Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL16642047 | 0.78 | GLA (0.42) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL14952510 | 0.74 | GLA (0.42) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL20083039 | 0.74 | NOS1 (0.52) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL16977092 | 0.73 | GLA (0.41) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL18851439 | 0.73 | GLA (0.41) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL18518955 | 0.73 | GLA (0.41) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL20821007 | 0.73 | GLA (0.39) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL3081213 | 0.73 | KMT2A (0.49) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL19490643 | 0.73 | KMT2A (0.49) | GLACACNA1BAPBA1TDP1GAA | |
| SCHEMBL13209207 | 0.73 | GAA (0.44) | GLACACNA1BAPBA1TDP1GAA |
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-3087060-B1 | PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME (US) | 2020-05-13 | — | — | EP | disclosed |