Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ADK | P55263 | 6/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | NR2E3 | Q9Y5X4 | 2/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8139571 | 0.89 | ADK (0.58) | ESR1POLBADKPPARGNR2E3 | |
| SCHEMBL8153922 | 0.84 | ADK (0.45) | ESR1POLBADKKDM4EHTT | |
| SCHEMBL8193681 | 0.81 | ADK (0.71) | ADKKDM4ETSHRKMT2AHPGD | |
| SCHEMBL2038473 | 0.77 | ADK (0.61) | POLBADKPPARGNR2E3NCOR2 | |
| SCHEMBL2042343 | 0.75 | ADK (0.58) | ESR1POLBADKPPARGNR2E3 | |
| SCHEMBL2053454 | 0.71 | ADK (0.80) | POLBADKPPARGNR2E3NCOR2 | |
| SCHEMBL8154196 | 0.70 | ADK (0.63) | ADKKDM4ETSHRKMT2AHPGD | |
| SCHEMBL8194016 | 0.69 | ADK (0.73) | ADKKDM4ETSHRKMT2AHPGD | |
| SCHEMBL5619735 | 0.67 | ESR1 (0.77) | ESR1POLBKDM4EHTTCYP1A2 | |
| SCHEMBL1392850 | 0.67 | POLB (0.63) | ESR1POLBKDM4EHTTCYP1A2 |
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 |