Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22201518 | 0.86 | DNMT3A (0.49) | DNMT3ATLR9ADORA2BACHECYP3A4 | |
| SCHEMBL22201755 | 0.82 | IDH1 (0.46) | — | |
| SCHEMBL19700746 | 0.77 | DNMT3A (0.51) | DNMT3ATLR9ADORA2BACHEHTR2A | |
| SCHEMBL19700701 | 0.75 | ADORA2B (0.46) | ADORA2BCYP3A4CYP3A5MAPTADORA2A | |
| SCHEMBL22201583 | 0.75 | IDH1 (0.54) | DNMT3ATLR9ADORA2BACHE | |
| SCHEMBL19700727 | 0.70 | SMN1; SMN2 (0.46) | ACHEHTR2ASMN1; SMN2LMNAMAPT | |
| SCHEMBL19700697 | 0.70 | DNMT3A (0.54) | DNMT3ATLR9ADORA2BACHECCNT1 | |
| SCHEMBL22201732 | 0.69 | ACHE (0.41) | DNMT3ATLR9ACHEMAPTGPR119 | |
| SCHEMBL22591149 | 0.69 | MAPT (0.44) | CYP3A4CYP3A5SMN1; SMN2LMNAMAPT | |
| SCHEMBL22879074 | 0.68 | IDH1 (0.62) | TLR9ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-3464281-B1 | MUTANT IDH1 INHIBITORS | LILLY CO ELI (US) | 2020-07-08 | — | — | EP | disclosed |