Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 1/20 | 0.68 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.60 |
| ▸ | MPO | P05164 | 1/20 | 0.60 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.59 |
| ▸ | RAF1 | P04049 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | BRAF | P15056 | 3/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.55 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.55 |
| ▸ | KDR | P35968 | 2/20 | 0.54 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28317079 | 0.89 | IDH2 (0.70) | IDH2RXFP1MAPTMEN1HTT | |
| SCHEMBL19403890 | 0.84 | MAPT (0.81) | RXFP1MPOKCNK3MAPTMEN1 | |
| SCHEMBL8148883 | 0.82 | KCNK3 (0.69) | RXFP1MPOKCNK3MAPTMEN1 | |
| SCHEMBL15647051 | 0.81 | IDH2 (1.00) | IDH2 | |
| SCHEMBL4683413 | 0.80 | KCNK3 (0.88) | RXFP1MPOKCNK3MAPTMEN1 | |
| SCHEMBL28845430 | 0.80 | MPO (0.61) | RXFP1MPOKCNK3MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL29693050 | 0.79 | KCNK3 (0.86) | RXFP1MPOKCNK3MAPTMEN1 | |
| SCHEMBL19403910 | 0.78 | RXFP1 (0.65) | RXFP1MPOKCNK3MAPTMEN1 | |
| SCHEMBL28845428 | 0.78 | KCNK3 (0.60) | RXFP1MPOKCNK3MAPTMEN1 | |
| SCHEMBL28151432 | 0.78 | IDH2 (0.69) | IDH2RXFP1MPOKCNK3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-106810512-B | IDH2 mutant inhibitor and application thereof | 江苏省中医药研究院 | 2019-09-10 | — | — | CN | disclosed |
| CN-106810512-A | IDH2 mutant inhibitor and application thereof | 江苏省中医药研究院 | 2017-06-09 | — | — | CN | disclosed |