Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326631 | 0.89 | KDM4E (0.43) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8327915 | 0.82 | CYP2A6 (0.45) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8328470 | 0.81 | SLC22A12 (0.38) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8329431 | 0.81 | CCNA2 (0.44) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8330251 | 0.78 | DUSP10 (0.45) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8328773 | 0.77 | HRH4 (0.39) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8325184 | 0.75 | CCNA2 (0.62) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8329082 | 0.75 | CCNA2 (0.48) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8327283 | 0.74 | CYP2C19 (0.42) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8327901 | 0.72 | CCNA2 (0.46) | KDM4ECYP2C19CYP3A4CYP1A2CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915879-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-05-19 | — | — | EP | claimed |
| WO-1998001449-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-01-15 | — | — | WO | claimed |
| EP-0915879-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998001449-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-01-15 | — | — | WO | disclosed |