Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.52 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28212354 | 1.00 | GABRR1 (0.52) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL4639637 | 0.98 | GABRR1 (0.54) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL7879761 | 0.98 | GABRR1 (0.54) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL30360217 | 0.96 | GABRR1 (0.52) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL9411898 | 0.85 | CPB2 (0.51) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL14616914 | 0.84 | ALDH1A1 (0.48) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL518315 | 0.83 | CPB2 (0.59) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28252625 | 0.83 | CPB2 (0.50) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL16125818 | 0.83 | CPB2 (0.59) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 | |
| SCHEMBL9343926 | 0.82 | ALDH1A1 (0.42) | GABRR1CPB2CYP1A2ALOX15ALDH1A1 |
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-107980038-A | Calcium salt of Shakuba Trigonella | 诺华股份有限公司 | 2018-05-01 | — | — | CN | disclosed |