Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BPTF | Q12830 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 6/20 | 0.37 |
| ▸ | IKBKB | O14920 | 2/20 | 0.33 |
| ▸ | CHUK | O15111 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GABARAP | O95166 | 1/20 | 0.31 |
| ▸ | GABARAPL2 | P60520 | 1/20 | 0.31 |
| ▸ | MAP1LC3C | Q9BXW4 | 1/20 | 0.31 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.31 |
| ▸ | GABARAPL1 | Q9H0R8 | 1/20 | 0.31 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29681028 | 1.00 | BPTF (0.38) | BPTFPDK1IKBKBCHUKJAK1 | |
| SCHEMBL24528663 | 0.81 | KDM4E (0.39) | PDK1IKBKBCHUKPDK2PDK3 | |
| SCHEMBL29680615 | 0.81 | KDM4E (0.39) | PDK1IKBKBCHUKPDK2PDK3 | |
| SCHEMBL29680982 | 0.77 | NEK1 (0.36) | BPTFIKBKBCHUKJAK1ALDH1A1 | |
| SCHEMBL24528665 | 0.77 | NEK1 (0.36) | BPTFIKBKBCHUKJAK1ALDH1A1 | |
| SCHEMBL29680804 | 0.76 | TERT (0.41) | BPTFPDK1LMNA | |
| SCHEMBL24528583 | 0.74 | KDM4E (0.38) | KDM4EALDH1A1LMNA | |
| SCHEMBL29680660 | 0.74 | KDM4E (0.38) | KDM4EALDH1A1LMNA | |
| SCHEMBL24528672 | 0.72 | IKBKB (0.45) | PDK1IKBKBCHUKJAK1PDK2 | |
| SCHEMBL29681139 | 0.72 | IKBKB (0.45) | PDK1IKBKBCHUKJAK1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |