Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8639129 | 0.90 | KCNH2 (0.46) | KCNH2FAAHCES1GRM5CYP1A2 | |
| SCHEMBL6862221 | 0.85 | GRM5 (0.47) | KCNH2GRM5CYP1A2CYP2C19 | |
| SCHEMBL408472 | 0.78 | GRM5 (0.49) | KCNH2GRM5CYP1A2 | |
| SCHEMBL5094273 | 0.78 | KCNH2 (0.39) | KDM4ELMNAUSP2ALOX15ALOX12 | |
| SCHEMBL5094281 | 0.78 | KCNH2 (0.39) | KDM4ELMNAUSP2ALOX15ALOX12 | |
| SCHEMBL101818 | 0.77 | CYP1A2 (0.50) | KDM4EHTTKCNH2CYP3A4GRM5 | |
| SCHEMBL103774 | 0.76 | CYP1A2 (0.44) | KDM4EHTTKCNH2CYP3A4GRM5 | |
| SCHEMBL102936 | 0.74 | GRM5 (0.42) | KCNH2GRM5FFAR1CYP1A2 | |
| SCHEMBL104758 | 0.74 | GRM5 (0.44) | KCNH2GRM5FFAR1CYP1A2 | |
| SCHEMBL31287818 | 0.72 | GPR84 (0.46) | ALOX15HTTKCNH2FAAHCES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113891879-A | 3, 6-disubstituted-2-pyridine aldoxime skeletons | 国家科学研究中心 | 2022-01-04 | — | — | CN | claimed |
| CN-113891879-A | 3, 6-disubstituted-2-pyridine aldoxime skeletons | 国家科学研究中心 | 2022-01-04 | — | — | CN | disclosed |