Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | GABRP | O00591 | 1/20 | 0.56 |
| ▸ | GABRD | O14764 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.56 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL27908742 | 0.81 | TDO2 (0.63) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL29034919 | 0.78 | TDO2 (0.58) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| Furan SCHEMBL28582242 | 0.78 | GLA (0.48) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| Ethylene SCHEMBL8176272 | 0.76 | TDO2 (0.55) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL31193469 | 0.76 | EGFR (0.61) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL27761900 | 0.75 | TDO2 (0.54) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL29756407 | 0.73 | TDO2 (0.65) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL2733976 | 0.73 | TDO2 (0.65) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| Harman SCHEMBL9480937 | 0.73 | MAOA (1.00) | TDO2KDM4EMAPTALDH1A1MEN1 | |
| Harman SCHEMBL141723 | 0.73 | MAOA (1.00) | TDO2KDM4EMAPTALDH1A1MEN1 |
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-112898302-B | Beta-carboline heterozygous imidazole compound and preparation method and application thereof | 石河子大学 | 2023-05-09 | — | — | CN | disclosed |