Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.45 |
| ▸ | CCR8 | P51685 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27838966 | 0.77 | ALOX15 (0.49) | KDM4EALDH1A1CYP1A2HPGDGRM5 | |
| Dipyridyl SCHEMBL27792926 | 0.77 | KDM4E (0.64) | KDM4EALDH1A1LMNACCR1CCR5 | |
| SCHEMBL6745096 | 0.76 | KDM4E (0.50) | KDM4EALDH1A1LMNACCR1CCR5 | |
| SCHEMBL4974076 | 0.74 | KDM4E (0.48) | KDM4EALDH1A1LMNACCR1CCR5 | |
| SCHEMBL7425804 | 0.74 | KDM4E (0.53) | KDM4EALDH1A1LMNACCR1CCR5 | |
| SCHEMBL18752563 | 0.74 | ALDH1A1 (0.50) | KDM4EALDH1A1LMNACCR1CCR5 | |
| SCHEMBL3714318 | 0.74 | KDM4E (0.48) | KDM4EALDH1A1LMNACCR1CCR5 | |
| SCHEMBL28931079 | 0.74 | KDM4E (0.48) | KDM4EALDH1A1LMNACCR1CCR5 | |
| SCHEMBL9019517 | 0.73 | PTGS1 (0.38) | KDM4EALDH1A1LMNACYP1A2POLB | |
| SCHEMBL18411456 | 0.73 | KDM4E (0.52) | KDM4EALDH1A1LMNACCR1CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108690007-B | C-H coupling reaction catalyzed by transition metal for efficiently preparing o-cyanoated aromatic ring or unsaturated aliphatic ring compound | 四川大学 | 2021-04-30 | — | — | CN | disclosed |