Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | IDH1 | O75874 | 6/20 | 0.38 |
| ▸ | IDH2 | P48735 | 4/20 | 0.37 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19700755 | 0.78 | ACHE (0.43) | ACHEIDH1IDH2DNMT3ANPC1 | |
| SCHEMBL19700759 | 0.78 | IDH1 (0.51) | ACHEIDH1IDH2 | |
| SCHEMBL19700746 | 0.78 | DNMT3A (0.51) | ACHEIDH1DNMT3ANPC1ALDH1A1 | |
| SCHEMBL20289762 | 0.74 | IDH1 (0.65) | IDH1IDH2 | |
| SCHEMBL19700721 | 0.72 | ALDH1A1 (0.46) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL19700719 | 0.72 | SMN1; SMN2 (0.43) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL22591169 | 0.70 | IDH1 (0.47) | IDH1IDH2 | |
| SCHEMBL22201787 | 0.70 | IDH1 (0.61) | ACHEIDH1IDH2 | |
| SCHEMBL21799052 | 0.69 | ALDH1A1 (0.49) | IDH1IDH2NPC1ALDH1A1MAPT | |
| SCHEMBL19700997 | 0.69 | ALDH1A1 (0.49) | IDH1IDH2NPC1ALDH1A1MAPT |
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 |