Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.51 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL22201518 | 0.89 | DNMT3A (0.49) | DNMT3AACHEADORA2BCCNT1NPC1 | |
| SCHEMBL21378439 | 0.89 | IDH1 (0.56) | IDH1ADORA2BNPC1ALDH1A1MAPT | |
| SCHEMBL19700702 | 0.89 | IDH1 (0.56) | IDH1ADORA2BNPC1ALDH1A1MAPT | |
| SCHEMBL19701040 | 0.86 | IDH1 (0.66) | DNMT3AIDH1ADORA2B | |
| SCHEMBL19700719 | 0.82 | SMN1; SMN2 (0.43) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL19700721 | 0.80 | ALDH1A1 (0.46) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL19700697 | 0.79 | DNMT3A (0.54) | DNMT3AACHEADORA2BCCNT1HTT | |
| SCHEMBL19700759 | 0.78 | IDH1 (0.51) | IDH1ACHE | |
| SCHEMBL22201732 | 0.78 | ACHE (0.41) | DNMT3AIDH1ACHENPC1ALDH1A1 | |
| SCHEMBL20289762 | 0.78 | IDH1 (0.65) | IDH1 |
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 2 patents. 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 |
| WO-2017213910-A1 | MUTANT IDH1 INHIBITORS | ELI LILLY AND COMPANY (US) | 2017-12-14 | — | — | WO | disclosed |