Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.42 |
| ▸ | PDE9A | O76083 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL21667314 | 0.88 | CDK1 (0.44) | CDK1PDE9APOLBRECQLTSHR | |
| SCHEMBL21667316 | 0.85 | CDK1 (0.44) | CDK1PDE9APOLBRECQLTSHR | |
| SCHEMBL16321912 | 0.77 | CYP3A4 (0.58) | PDE9APOLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL21667179 | 0.76 | PGR (0.44) | TSHRMAPTKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL22367979 | 0.75 | SMN1; SMN2 (0.46) | CDK1BRD4POLBTSHRSMN1; SMN2 | |
| SCHEMBL21667303 | 0.74 | PDE9A (0.46) | PDE9AMAPT | |
| SCHEMBL20716038 | 0.74 | CYP3A4 (0.61) | CDK1PDE9APOLBRECQLSMN1; SMN2 | |
| SCHEMBL18898509 | 0.73 | LMNA (0.40) | CDK1POLBSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL21667181 | 0.73 | PDE9A (0.48) | CDK1PDE9ATSHRMAPTMEN1 | |
| SCHEMBL2271787 | 0.69 | L3MBTL1 (0.47) | BRD4BRD9TSHRSMN1; SMN2MAPT |
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 |