Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.37 |
| ▸ | GABRD | O14764 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL689833 | 0.82 | TSHR (0.42) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL29888598 | 0.82 | BLM (0.42) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL16831513 | 0.82 | TSHR (0.42) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL16057346 | 0.82 | TSHR (0.42) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL1185911 | 0.80 | TSHR (0.41) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL1185914 | 0.80 | TSHR (0.41) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL10708686 | 0.80 | TSHR (0.41) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL22500695 | 0.78 | TSHR (0.39) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL22500694 | 0.78 | TSHR (0.39) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL9446891 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433225-A | Preparation method of 4- (diethoxyphosphoryl) -2-methyl-2-ethyl crotonate | 万华化学集团股份有限公司 | 2022-12-06 | — | — | CN | claimed |
| CN-115304482-A | Preparation method of 4-chloro-2-methyl-ethyl crotonate | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | claimed |
| CN-115433225-A | Preparation method of 4- (diethoxyphosphoryl) -2-methyl-2-ethyl crotonate | 万华化学集团股份有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-115304482-A | Preparation method of 4-chloro-2-methyl-ethyl crotonate | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-115304482-A | Preparation method of 4-chloro-2-methyl-ethyl crotonate | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-115304482-A | Preparation method of 4-chloro-2-methyl-ethyl crotonate | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |