Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | EIF4E | P06730 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18458701 | 0.82 | ERN1 (0.37) | ERN1ALDH1A1SMN1; SMN2EIF4EMAPT | |
| SCHEMBL20210828 | 0.82 | ERN1 (0.37) | ERN1ALDH1A1SMN1; SMN2EIF4EMAPT | |
| SCHEMBL18458311 | 0.80 | MAPT (0.48) | ERN1ALDH1A1SMN1; SMN2EIF4EMAPT | |
| SCHEMBL18458067 | 0.76 | CASP6 (0.55) | ERN1EIF4EHCAR3TSHR | |
| SCHEMBL28211106 | 0.75 | ERN1 (0.41) | ERN1ALDH1A1SMN1; SMN2EIF4EMAPT | |
| SCHEMBL13011479 | 0.75 | VCAM1 (0.52) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL28211113 | 0.70 | HTT (0.54) | ERN1ALDH1A1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL15741263 | 0.69 | S100A4 (0.47) | ERN1ALDH1A1EIF4EMAPTMAOB | |
| SCHEMBL18458068 | 0.69 | POLB (0.56) | ALDH1A1SMN1; SMN2MAPTMEN1NPC1 | |
| SCHEMBL28211107 | 0.68 | ERN1 (0.36) | ERN1ALDH1A1EIF4EMAPT |
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-A | Target the antitumoral compounds and its application method of IDH2 mutation | 正大天晴药业集团股份有限公司 | 2018-04-17 | — | — | CN | disclosed |