Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | NR2E3 | Q9Y5X4 | 2/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2033755 | 0.85 | PPARG (0.62) | CYP1A2CYP2C19PPARGNR2E3NCOR2 | |
| SCHEMBL8152909 | 0.80 | ADK (0.52) | CYP1A2CYP2C19ALDH1A1HSD17B10PPARG | |
| SCHEMBL8146517 | 0.79 | ADK (0.45) | GRM5GSK3BADKLRRK2 | |
| SCHEMBL2049699 | 0.71 | ADK (0.58) | CYP1A2CYP2C19ALDH1A1HSD17B10PPARG | |
| SCHEMBL8148698 | 0.71 | HPGD (0.63) | CYP1A2CYP2C19ALDH1A1PPARGNR2E3 | |
| SCHEMBL2040975 | 0.71 | PPARG (0.53) | CYP1A2CYP2C19PPARGNR2E3NCOR2 | |
| SCHEMBL22567057 | 0.70 | GABRG2 (0.54) | CYP1A2CYP2C19CLK4USP2ALDH1A1 | |
| SCHEMBL2039577 | 0.70 | ADK (0.74) | CYP1A2CYP2C19PPARGNR2E3NCOR2 | |
| SCHEMBL20395967 | 0.70 | MYC (0.57) | CLK4XDHGABRA1GABRG2GABRB3 | |
| SCHEMBL31663608 | 0.70 | GABRA1 (0.56) | CYP1A2CYP2C19CLK4ALDH1A1MAPK1 |
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-0989986-A1 | 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS | Abbott Laboratories (US) | 2000-04-05 | — | — | EP | claimed |
| WO-1998046605-A1 | 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 1998-10-22 | — | — | WO | claimed |