Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HTR5A | P47898 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | FGR | P09769 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23292666 | 1.00 | KDM4E (0.38) | KDM4EMEN1KMT2ALMNAMAPT | |
| SCHEMBL29374343 | 0.76 | APOBEC3A (0.48) | KDM4EMEN1KMT2ALMNAMAPT | |
| SCHEMBL7258801 | 0.76 | APOBEC3A (0.48) | KDM4EMEN1KMT2ALMNAMAPT | |
| SCHEMBL11294332 | 0.73 | S100A4 (0.33) | KDM4EMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL22172193 | 0.73 | PDK2 (0.34) | ALDH1A1CYP3A4HSD17B10TDP1PDK2 | |
| SCHEMBL31563811 | 0.73 | PDK2 (0.35) | MEN1KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL22604447 | 0.71 | DRD1 (0.33) | ALDH1A1CYP3A4HSD17B10TDP1HTR2A | |
| SCHEMBL11291041 | 0.70 | IDO1 (0.34) | KDM4ETDP1HTR2A | |
| SCHEMBL11294191 | 0.68 | ALDH1A1 (0.33) | MEN1KMT2ALMNAALDH1A1TDP1 | |
| SCHEMBL22749382 | 0.67 | ALDH1A1 (0.39) | KDM4EMEN1KMT2ALMNAMAPT |
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-112533903-B | Benzimidazole derivatives and their use as IDH1 inhibitors | 昆药集团股份有限公司 | 2022-08-16 | — | — | CN | disclosed |