Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.55 |
| ▸ | IDH2 | P48735 | 3/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.53 |
| ▸ | KDR | P35968 | 2/20 | 0.53 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.52 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.52 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTR1E | P28566 | 1/20 | 0.51 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28845311 | 0.90 | MPO (0.58) | EPHX2MAPTRAB9AMEN1HTT | |
| SCHEMBL28152454 | 0.86 | EPHX2 (0.55) | EPHX2MAPTRAB9AMEN1HTT | |
| SCHEMBL28845310 | 0.83 | KCNK3 (0.56) | EPHX2MAPTRAB9AMEN1HTT | |
| SCHEMBL8370337 | 0.81 | NTRK1 (0.70) | MAPTRAB9AMEN1HTTKMT2A | |
| SCHEMBL10217915 | 0.80 | KMT2A (0.88) | MAPTRAB9AMEN1HTTKMT2A | |
| SCHEMBL5476438 | 0.79 | MEN1 (0.67) | MAPTRAB9AMEN1HTTKMT2A | |
| SCHEMBL8505589 | 0.78 | MAPT (0.61) | MAPTRAB9AMEN1HTTKMT2A | |
| SCHEMBL8368351 | 0.78 | RXFP1 (0.62) | MAPTRAB9AMEN1HTTKMT2A | |
| SCHEMBL28317079 | 0.77 | IDH2 (0.70) | MAPTRAB9AMEN1HTTKMT2A | |
| SCHEMBL28317077 | 0.75 | MEN1 (0.61) | MAPTRAB9AMEN1HTTKMT2A |
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 |