Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | DGKA | P23743 | 3/20 | 0.33 |
| ▸ | DGKZ | Q13574 | 3/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 2/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL21831890 | 1.00 | IDH1 (0.37) | IDH1PTGS1PTGS2DGKADGKZ | |
| SCHEMBL15028921 | 0.85 | MGLL (0.40) | IDH1PTGS1PTGS2DGKADGKZ | |
| SCHEMBL18097789 | 0.82 | PDE2A (0.38) | IDH1PTGS1PTGS2DGKADGKZ | |
| SCHEMBL30910925 | 0.82 | PDE2A (0.38) | IDH1PTGS1PTGS2DGKADGKZ | |
| SCHEMBL18097826 | 0.82 | IDH1 (0.37) | IDH1PTGS1PTGS2DGKADGKZ | |
| SCHEMBL31064692 | 0.79 | IDH1 (0.43) | IDH1PTGS1PTGS2DGKADGKZ | |
| SCHEMBL13499049 | 0.79 | APP (0.41) | IDH1PTGS1PTGS2APPGRIA4 | |
| SCHEMBL29611795 | 0.78 | ESR2 (0.44) | IDH1PTGS1PTGS2APPPDE2A | |
| SCHEMBL26923110 | 0.78 | ESR2 (0.44) | IDH1PTGS1PTGS2APPPDE2A | |
| SCHEMBL21872202 | 0.77 | APP (0.43) | PTGS1PTGS2APPMGLL |
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-112654621-B | Substituted naphthyridinone compounds useful as T cell activators | 百时美施贵宝公司 | 2024-05-14 | — | — | CN | disclosed |