Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 6/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28839899 | 0.78 | ABCB1 (0.54) | ABCB1TDP1L3MBTL1HPGD | |
| SCHEMBL28128268 | 0.78 | ABCB1 (0.54) | ABCB1TDP1L3MBTL1ALDH1A1HTR1A | |
| SCHEMBL21710556 | 0.77 | ERN1 (0.51) | ERN1TDP1L3MBTL1LMNA | |
| SCHEMBL5336325 | 0.75 | ERN1 (0.57) | ERN1TDP1LMNAALDH1A1ABCG2 | |
| SCHEMBL11399635 | 0.75 | KDM4E (0.59) | ABCB1ALDH1A1HTR1ADRD2ABCG2 | |
| SCHEMBL10158585 | 0.75 | ERN1 (0.62) | ERN1SMN1; SMN2LMNAALDH1A1ABCG2 | |
| SCHEMBL21957648 | 0.75 | HDAC8 (0.54) | ABCB1ERN1TDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL1745424 | 0.75 | MAOB (0.53) | ERN1TDP1L3MBTL1SMN1; SMN2HTR1A | |
| SCHEMBL28964268 | 0.74 | PPARG (0.39) | ABCB1ABCG2 | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 | 0.74 | ERN1 (0.74) | ERN1TDP1LMNAALDH1A1ABCG2 |
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-109896943-A | A kind of chemical preparation process of cajanin and its analogue | 暨南大学 | 2019-06-18 | — | — | CN | disclosed |