Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NMT1 | P30419 | 2/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 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 | |
|---|---|---|---|---|
| SCHEMBL24528590 | 0.88 | ADORA2A (0.40) | ADORA2AADORA1ALDH1A1LMNAADORA3 | |
| SCHEMBL24528591 | 0.85 | SCN9A (0.41) | ADORA2AADORA1RAD52 | |
| SCHEMBL24528664 | 0.83 | ADORA2A (0.34) | ADORA2AALDH1A1LMNA | |
| SCHEMBL29681009 | 0.82 | KDM4E (0.40) | ALDH1A1PIK3CAMTORPDGFRBKIT | |
| SCHEMBL24528587 | 0.82 | KDM4E (0.40) | ALDH1A1PIK3CAMTORPDGFRBKIT | |
| SCHEMBL24528588 | 0.78 | ALDH1A1 (0.36) | ALDH1A1PIK3CAMTORPDGFRBKIT | |
| SCHEMBL24528709 | 0.73 | KDM4E (0.33) | ALDH1A1LMNA | |
| SCHEMBL29680934 | 0.73 | KDM4E (0.33) | ALDH1A1LMNA | |
| SCHEMBL24528643 | 0.73 | NUDT1 (0.38) | ALDH1A1LMNA | |
| SCHEMBL24528630 | 0.73 | ALDH1A1 (0.33) | ALDH1A1LMNARAD52POLBMAPK1 |
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 |