Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2802726 | 0.93 | CACNA2D1 (0.40) | TSHRCACNA2D1CACNB2CACNA1CHSD17B2 | |
| SCHEMBL2801832 | 0.86 | TSHR (0.52) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL2519799 | 0.86 | TSHR (0.52) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL20865650 | 0.82 | ACHE (0.45) | HSD17B2ALDH1A1LMNASMN1; SMN2NPC1 | |
| SCHEMBL4649365 | 0.82 | APP (0.43) | HSD17B2ALDH1A1MAPK1LMNAHTT | |
| SCHEMBL17845069 | 0.82 | APP (0.48) | TSHRCACNA2D1CACNB2CACNA1CHSD17B2 | |
| SCHEMBL2683355 | 0.81 | TSHR (0.44) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL28362187 | 0.81 | TSHR (0.44) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL11213850 | 0.81 | TSHR (0.53) | TSHRCACNA2D1CACNB2CACNA1CALDH1A1 | |
| SCHEMBL7592292 | 0.81 | CACNA2D1 (0.47) | TSHRCACNA2D1CACNB2CACNA1CHSD17B2 |
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-113461501-A | Green method for high-selectivity synthesis of chalcone compounds | 温州大学 | 2021-10-01 | — | — | CN | disclosed |