Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | PDE9A | O76083 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21667347 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2B6PDE9ALMNAMEN1 | |
| SCHEMBL20716038 | 0.87 | CYP3A4 (0.61) | CYP3A4CYP2B6PDE9AGPR84LMNA | |
| SCHEMBL21667374 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2B6PDE9AGPR84LMNA | |
| SCHEMBL21667176 | 0.86 | CYP3A4 (0.49) | CYP3A4CYP2B6PGRGPR84LMNA | |
| SCHEMBL21667309 | 0.86 | CYP3A4 (0.49) | CYP3A4CYP2B6PDE9AGPR84LMNA | |
| SCHEMBL21667252 | 0.84 | PDE9A (0.50) | CYP3A4CYP2B6PDE9AMAPTMEN1 | |
| SCHEMBL21667387 | 0.82 | PGR (0.47) | PDE9APGRGPR84FABP4LMNA | |
| SCHEMBL21667270 | 0.81 | KMT2A (0.64) | CYP3A4CYP2B6PDE9AMAPTMEN1 | |
| SCHEMBL21667382 | 0.80 | ADORA1 (0.49) | PDE9APGRGPR84FABP4MEN1 | |
| SCHEMBL21667332 | 0.80 | CYP3A4 (0.49) | CYP3A4CYP2B6PGRGPR84LMNA |
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-3010910-B1 | PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS | MYOKARDIA INC (US) | 2020-02-05 | — | — | EP | disclosed |