Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28366152 | 0.89 | TSHR (0.56) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL3512311 | 0.88 | TSHR (0.49) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL132216 | 0.82 | TSHR (0.67) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL29385659 | 0.82 | TSHR (0.67) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL4923182 | 0.81 | GRM8 (0.51) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| Hydrochloric Acid SCHEMBL4171963 | 0.79 | TSHR (0.62) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL479034 | 0.76 | CCNT1 (0.59) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| Dinitrophenylene SCHEMBL27502168 | 0.75 | CYP2D6 (0.61) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL2852943 | 0.74 | NPSR1 (0.46) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL27233619 | 0.74 | CCNT1 (0.54) | TSHRCYP2C19CYP2D6CYP2C9CYP1A2 |
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-108348886-B | Method for preparing microcapsules by double emulsification | 卡莉西亚公司 | 2021-09-10 | — | — | CN | disclosed |