Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3231923 | 0.90 | KDM4E (0.45) | KDM4ENPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3227733 | 0.89 | KDM4E (0.43) | KDM4ENPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3232013 | 0.88 | SMN1; SMN2 (0.42) | KDM4ENPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3330291 | 0.85 | KDM4E (0.48) | KDM4ENPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9846090 | 0.79 | KDM4E (0.69) | KDM4ENPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3327156 | 0.79 | KDM4E (0.54) | KDM4ENPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3327610 | 0.76 | P2RY12 (0.71) | CYP3A4CYP2C9 | |
| SCHEMBL3941050 | 0.76 | SMN1; SMN2 (0.39) | KDM4ENPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3326980 | 0.75 | P2RY12 (0.72) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9449258 | 0.74 | CNR1 (0.47) | L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010005384-A1 | KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS | ASTRAZENECA AB (SE) | 2010-01-14 | — | — | WO | disclosed |