Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL24528664 | 0.88 | ADORA2A (0.34) | ALDH1A1LMNA | |
| SCHEMBL24528642 | 0.84 | SCN9A (0.41) | — | |
| SCHEMBL24528590 | 0.83 | ADORA2A (0.40) | NUDT1ALDH1A1LMNA | |
| SCHEMBL24528636 | 0.74 | NUDT1 (0.41) | NUDT1ALDH1A1LMNA | |
| SCHEMBL24528628 | 0.73 | ADORA2A (0.34) | ALDH1A1LMNA | |
| SCHEMBL24528660 | 0.70 | KDM4E (0.40) | ALDH1A1 | |
| SCHEMBL29681239 | 0.70 | KDM4E (0.40) | ALDH1A1 | |
| SCHEMBL24528591 | 0.69 | SCN9A (0.41) | — | |
| SCHEMBL24528635 | 0.68 | BPTF (0.38) | ALDH1A1LMNA | |
| SCHEMBL24528709 | 0.68 | KDM4E (0.33) | ALDH1A1LMNA |
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 |