Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL5764637 | 0.75 | CYP2A6 (0.52) | TDO2CYP2A6CYP2B6CYP2E1CYP3A4 | |
| SCHEMBL28210497 | 0.75 | ERN1 (0.42) | KCNH2TDO2CYP2A6CYP2B6CYP2E1 | |
| SCHEMBL27343606 | 0.73 | MAPT (0.39) | IMPDH2MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL27588479 | 0.72 | ALDH1A1 (0.42) | MAPTALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL5190739 | 0.72 | ALDH1A1 (0.54) | KCNH2TDO2CYP2A6IMPDH2CYP2B6 | |
| SCHEMBL7448805 | 0.72 | ALDH1A1 (0.54) | TDO2CYP2A6MAPTALDH1A1CYP3A4 | |
| SCHEMBL34467254 | 0.71 | KCNH2 (0.57) | KCNH2TDO2CYP2A6IMPDH2CYP2B6 | |
| SCHEMBL2011546 | 0.71 | KCNH2 (0.57) | KCNH2TDO2CYP2A6IMPDH2CYP2B6 | |
| SCHEMBL9598459 | 0.70 | CYP2A6 (0.33) | TDO2CYP2A6CYP2B6CYP2E1ALDH1A1 | |
| SCHEMBL692248 | 0.69 | IMPDH2 (0.54) | KCNH2TDO2CYP2A6IMPDH2CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922375-B | Anti-tumor compounds targeting the IDH2 mutation and methods of use thereof | 正大天晴药业集团股份有限公司 | 2020-05-22 | — | — | CN | disclosed |