Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | QPCT | Q16769 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | ADH5 | P11766 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12841347 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2C9QPCTMGLLLMNA | |
| SCHEMBL1352015 | 0.74 | MAPT (0.56) | CYP1A2CYP2C9QPCTLMNARXFP1 | |
| SCHEMBL17690362 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2C9QPCTLMNARXFP1 | |
| SCHEMBL6518759 | 0.74 | CYP2C9 (0.58) | CYP1A2CYP2C9QPCTMGLLLMNA | |
| SCHEMBL1186988 | 0.74 | ENPP2 (0.56) | CYP1A2CYP2C9QPCTMGLLLMNA | |
| SCHEMBL256624 | 0.72 | CYP3A4 (0.52) | CYP1A2CYP2C9QPCTLMNAKMT2A | |
| SCHEMBL31387623 | 0.72 | CYP1A2 (0.50) | CYP1A2CYP2C9QPCTLMNARXFP1 | |
| SCHEMBL17672944 | 0.72 | LMNA (0.64) | CYP1A2CYP2C9LMNAKMT2AADH5 | |
| SCHEMBL393880 | 0.70 | KDM4E (0.50) | CYP1A2FAAHMGLLKMT2AMAPT | |
| SCHEMBL2511973 | 0.70 | KCNJ1 (0.53) | CYP1A2CYP2C9QPCTRXFP1 |
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-3169673-B1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME (US) | 2020-04-29 | — | — | EP | disclosed |