Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19700746 | 0.89 | DNMT3A (0.51) | DNMT3AACHEADORA2BTLR9CYP3A4 | |
| SCHEMBL19700701 | 0.88 | ADORA2B (0.46) | ADORA2BCYP3A4CYP3A5GPR119HTT | |
| SCHEMBL22201592 | 0.86 | DNMT3A (0.42) | DNMT3AACHEADORA2BTLR9CYP3A4 | |
| SCHEMBL22201583 | 0.85 | IDH1 (0.54) | DNMT3AACHEADORA2BTLR9 | |
| SCHEMBL19700697 | 0.82 | DNMT3A (0.54) | DNMT3AACHEADORA2BTLR9GPR119 | |
| SCHEMBL19700727 | 0.81 | SMN1; SMN2 (0.46) | ACHEGPR119SMN1; SMN2MEN1CYP2C19 | |
| SCHEMBL22591149 | 0.78 | MAPT (0.44) | CYP3A4CYP3A5GPR119SMN1; SMN2MEN1 | |
| SCHEMBL22879074 | 0.77 | IDH1 (0.62) | ACHETLR9 | |
| SCHEMBL19701043 | 0.77 | IDH1 (0.64) | DNMT3AACHETLR9 | |
| SCHEMBL21378439 | 0.77 | IDH1 (0.56) | ADORA2BCYP3A4CYP3A5GPR119HTT |
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 |