Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | TDO2 | P48775 | 1/20 | 0.50 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | VEGFA | P15692 | 1/20 | 0.46 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19700696 | 0.85 | IDH1 (0.53) | IDO1TDO2IDO2TBK1ADORA2B | |
| SCHEMBL28643040 | 0.85 | IDH1 (0.53) | IDO1TDO2IDO2TBK1ADORA2B | |
| SCHEMBL22201764 | 0.84 | IDH1 (0.60) | DNMT3AIDO1TDO2IDO2ACHE | |
| SCHEMBL2902092 | 0.83 | KDM1A (0.55) | IDO1TDO2IDO2VEGFAEGLN1 | |
| SCHEMBL22201791 | 0.83 | IDH1 (0.49) | DNMT3AIDO1TDO2IDO2GPR119 | |
| SCHEMBL22201518 | 0.82 | DNMT3A (0.49) | DNMT3AACHEADORA2BGPR119SMN1; SMN2 | |
| SCHEMBL22201731 | 0.81 | IDH1 (0.57) | DNMT3A | |
| SCHEMBL19701246 | 0.81 | ACHE (0.56) | ACHETBK1VEGFAEGLN1SMN1; SMN2 | |
| SCHEMBL19700746 | 0.79 | DNMT3A (0.51) | DNMT3AACHEADORA2BGPR119HTT | |
| SCHEMBL114519 | 0.78 | VEGFA (0.50) | IDO1TDO2IDO2TBK1VEGFA |
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 |