Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.54 |
| ▸ | PDE9A | O76083 | 2/20 | 0.47 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21667323 | 0.87 | CYP3A4 (0.54) | CYP3A4CYP2B6POLBLMNATP53 | |
| SCHEMBL21667337 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2B6POLBLMNACYP2C19 | |
| SCHEMBL21667350 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2B6LMNATP53KMT2A | |
| SCHEMBL21667335 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2B6PDE9AHSD17B10KMT2A | |
| SCHEMBL21667318 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2B6LMNATP53SMN1; SMN2 | |
| SCHEMBL21667363 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2B6THRB | |
| SCHEMBL20716038 | 0.83 | CYP3A4 (0.61) | CYP3A4CYP2B6PDE9APOLBLMNA | |
| SCHEMBL21667306 | 0.79 | CYP3A4 (0.50) | CYP3A4CYP2B6PDE9AFABP4POLB | |
| SCHEMBL24469599 | 0.78 | CYP3A4 (0.45) | CYP3A4CYP2B6POLBLMNATP53 | |
| SCHEMBL21667339 | 0.78 | CYP3A4 (0.46) | CYP3A4CYP2B6POLBLMNAHSD17B10 |
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-3702352-A1 | PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS | Myokardia, Inc. (US) | 2020-09-02 | — | — | EP | disclosed |
| EP-3010910-B1 | PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS | MYOKARDIA INC (US) | 2020-02-05 | — | — | EP | disclosed |