Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 1/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | MPO | P05164 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.56 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.55 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.54 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.54 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28845430 | 0.92 | MPO (0.61) | KCNK3RXFP1MAPTMEN1HTT | |
| SCHEMBL28317077 | 0.89 | MEN1 (0.61) | RXFP1MAPTMEN1HTTRAB9A | |
| SCHEMBL19403890 | 0.85 | MAPT (0.81) | KCNK3RXFP1MAPTMEN1HTT | |
| SCHEMBL4683413 | 0.81 | KCNK3 (0.88) | KCNK3RXFP1MAPTMEN1HTT | |
| SCHEMBL19403910 | 0.81 | RXFP1 (0.65) | KCNK3RXFP1MAPTMEN1HTT | |
| Hydrochloric Acid SCHEMBL29693050 | 0.80 | KCNK3 (0.86) | KCNK3RXFP1MAPTMEN1HTT | |
| SCHEMBL28152467 | 0.78 | IDH2 (0.68) | KCNK3RXFP1MAPTMEN1HTT | |
| SCHEMBL28151435 | 0.78 | IDH2 (0.61) | KCNK3RXFP1MAPTMEN1HTT | |
| SCHEMBL28845310 | 0.78 | KCNK3 (0.56) | KCNK3RXFP1MAPTMEN1HTT | |
| SCHEMBL21479335 | 0.78 | MEN1 (0.65) | KCNK3MAPTMEN1HTTRAB9A |
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-A | IDH2 mutant inhibitor and application thereof | 江苏省中医药研究院 | 2017-06-09 | — | — | CN | disclosed |