Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2042343 | 0.90 | ADK (0.58) | ADKPOLBESR1HTTKDM4E | |
| SCHEMBL8153924 | 0.84 | ESR1 (0.47) | ADKPOLBESR1HTTCYP1A2 | |
| SCHEMBL8139571 | 0.75 | ADK (0.58) | ADKPOLBESR1CYP1A2CYP2C9 | |
| SCHEMBL2053384 | 0.72 | ADK (0.76) | ADK | |
| SCHEMBL8193681 | 0.72 | ADK (0.71) | ADKTSHRKDM4E | |
| SCHEMBL8139601 | 0.69 | ADK (0.44) | ADKTSHRKDM4E | |
| SCHEMBL8139407 | 0.68 | ADK (0.52) | ADK | |
| SCHEMBL8146517 | 0.67 | ADK (0.45) | ADK | |
| SCHEMBL2038473 | 0.64 | ADK (0.61) | ADKPOLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2035597 | 0.64 | ADK (0.68) | ADKTSHRKDM4E |
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 |