Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3677714 | 0.82 | TGFBR1 (0.42) | MCL1ALDH1A1HPGDKDM4EMDM2 | |
| SCHEMBL3666760 | 0.81 | MCL1 (0.41) | MCL1ALDH1A1HPGDKDM4EMDM2 | |
| SCHEMBL2921713 | 0.79 | SLC6A2 (0.41) | MCL1ALDH1A1HPGDKDM4EMDM2 | |
| SCHEMBL2763451 | 0.78 | MCL1 (0.36) | ADORA2AADORA1MCL1ALDH1A1HPGD | |
| Water SCHEMBL4777584 | 0.76 | GRIA1 (0.47) | MCL1ALDH1A1HPGDKDM4EMDM2 | |
| SCHEMBL2918049 | 0.76 | GRIA1 (0.47) | MCL1ALDH1A1HPGDKDM4EMDM2 | |
| SCHEMBL3672706 | 0.73 | KDM4E (0.40) | MCL1ALDH1A1HPGDKDM4EMDM2 | |
| SCHEMBL3802043 | 0.73 | LRRK2 (0.45) | ADORA2A | |
| SCHEMBL6674051 | 0.72 | PARP1 (0.39) | MCL1 | |
| SCHEMBL6686812 | 0.72 | GRIA1 (0.47) | MCL1ALDH1A1HPGDKDM4EMDM2 |
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-2053041-A2 | 1,3,5-Trisubstituted 2(1H)-pyridones as AMPA receptor inhibitors useful for the treatment of eg Parkinson's disease | Eisai R&D Management Co., Ltd. (JP) | 2009-04-29 | — | — | EP | disclosed |