Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.34 |
| ▸ | IDH2 | P48735 | 6/20 | 0.34 |
| ▸ | EIF4E | P06730 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18458703 | 0.82 | ERN1 (0.34) | ERN1GRIA4IDH2EIF4EADRB2 | |
| SCHEMBL18458700 | 0.79 | ERN1 (0.40) | ERN1GRIA4IDH2EIF4EADRB2 | |
| SCHEMBL18458704 | 0.76 | IDH2 (0.54) | IDH2ALDH1A1 | |
| SCHEMBL18458412 | 0.72 | IDH2 (0.54) | IDH2PTGS2ALDH1A1 | |
| SCHEMBL15741263 | 0.69 | S100A4 (0.47) | ERN1IDH2EIF4EMAPTPTPRC | |
| SCHEMBL28858691 | 0.68 | ERN1 (0.38) | ERN1EIF4EMAPTALDH1A1 | |
| SCHEMBL18458311 | 0.68 | MAPT (0.48) | ERN1EIF4EMAPTAKR1C3AKR1C2 | |
| SCHEMBL28211113 | 0.68 | HTT (0.54) | ERN1MAPTALDH1A1 | |
| SCHEMBL13011479 | 0.68 | VCAM1 (0.52) | ERN1MAPTALDH1A1 | |
| SCHEMBL5913505 | 0.67 | ERN1 (0.52) | ERN1EIF4EMAPTALDH1A1 |
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 |