Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 5/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29561158 | 0.77 | ALDH1A1 (0.46) | ALDH1A1IMPDH2KDM4EL3MBTL1HPGD | |
| SCHEMBL465585 | 0.77 | ALDH1A1 (0.46) | ALDH1A1IMPDH2KDM4EL3MBTL1HPGD | |
| SCHEMBL717936 | 0.74 | KDM4C (0.53) | ALDH1A1KDM4EL3MBTL1HTTATM | |
| SCHEMBL1225203 | 0.74 | CNR1 (0.54) | ALDH1A1KDM4EHPGDCYP1A2POLB | |
| SCHEMBL24554524 | 0.73 | ALDH1A1 (0.35) | ALDH1A1IMPDH2GAAKDM4EL3MBTL1 | |
| SCHEMBL28714426 | 0.73 | PTGER4 (0.42) | ALDH1A1IMPDH2KDM4EHPGDCYP1A2 | |
| SCHEMBL5331216 | 0.73 | ELANE (0.43) | KDM4EL3MBTL1POLBKDM4CELANE | |
| SCHEMBL5262178 | 0.73 | KMT2A (0.39) | KDM4EL3MBTL1HPGDCYP1A2CYP2C19 | |
| SCHEMBL23529688 | 0.71 | HTT (0.40) | KDM4EL3MBTL1CYP1A2CYP2C19HTT | |
| SCHEMBL13502788 | 0.71 | SLC9A1 (0.41) | ALDH1A1IMPDH2KDM4EHPGDCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104725295-B | Aromatic heterocyclic derivatives and its application on drug | 广东东阳光药业有限公司 | 2019-05-24 | — | — | CN | disclosed |
| EP-1412355-A1 | NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS | AstraZeneca AB (SE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003002567-A1 | NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS | ASTRAZENECA AB (SE) | 2003-01-09 | — | — | WO | disclosed |