Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | DHPS | P49366 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29680818 | 1.00 | ADORA2A (0.46) | ADORA2ABRD4HRH4KDRHTR6 | |
| SCHEMBL29680758 | 0.77 | KDM4E (0.41) | ADORA2ABRD4KDRHTR6ALDH1A1 | |
| SCHEMBL24528696 | 0.77 | KDM4E (0.41) | ADORA2ABRD4KDRHTR6ALDH1A1 | |
| SCHEMBL24528682 | 0.76 | ALDH1A1 (0.35) | ALDH1A1MAPTCYP11B1 | |
| SCHEMBL29680300 | 0.75 | HRH3 (0.40) | KDRHTR6ABL1FYNSRC | |
| Oxalic Acid SCHEMBL29680556 | 0.74 | MOK (0.40) | HTR6ALDH1A1HDAC1 | |
| SCHEMBL26105101 | 0.71 | HRH4 (0.41) | BRD4HRH4KDRFLT1ALDH1A1 | |
| SCHEMBL16794756 | 0.70 | MEN1 (0.46) | ALDH1A1NOTUMCYP11B1HDAC4HDAC1 | |
| SCHEMBL24528698 | 0.70 | ALDH1A1 (0.37) | ALDH1A1MAPTSRC | |
| SCHEMBL29680570 | 0.70 | ALDH1A1 (0.37) | ALDH1A1MAPTSRC |
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 |