Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.57 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.57 |
| ▸ | BRAF | P15056 | 3/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.56 |
| ▸ | KDR | P35968 | 3/20 | 0.56 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28152467 | 0.89 | IDH2 (0.68) | IDH2MEN1MAPTHTTKMT2A | |
| SCHEMBL8368351 | 0.88 | RXFP1 (0.62) | IDH2MEN1MAPTHTTKMT2A | |
| SCHEMBL8370337 | 0.83 | NTRK1 (0.70) | IDH2MEN1MAPTHTTKMT2A | |
| SCHEMBL15647051 | 0.83 | IDH2 (1.00) | IDH2 | |
| SCHEMBL10217915 | 0.82 | KMT2A (0.88) | MEN1MAPTHTTKMT2ARAB9A | |
| SCHEMBL8505589 | 0.81 | MAPT (0.61) | IDH2MEN1MAPTHTTKMT2A | |
| SCHEMBL5476438 | 0.81 | MEN1 (0.67) | IDH2MEN1MAPTHTTKMT2A | |
| SCHEMBL28317077 | 0.77 | MEN1 (0.61) | IDH2MEN1MAPTHTTKMT2A | |
| SCHEMBL17664319 | 0.77 | KMT2A (0.82) | MEN1MAPTHTTKMT2ARAB9A | |
| SCHEMBL30069239 | 0.77 | MAPT (1.00) | MEN1MAPTHTTKMT2ARAB9A |
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-106810512-B | IDH2 mutant inhibitor and application thereof | 江苏省中医药研究院 | 2019-09-10 | — | — | CN | disclosed |