Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.42 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3023205 | 0.80 | TSHR (0.46) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL3023206 | 0.80 | TSHR (0.46) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL21521060 | 0.80 | TSHR (0.46) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL2467205 | 0.80 | TSHR (0.46) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL2467206 | 0.80 | TSHR (0.46) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL16431213 | 0.78 | TSHR (0.44) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL16431212 | 0.78 | TSHR (0.44) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL3359822 | 0.76 | TSHR (0.48) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL3359819 | 0.76 | TSHR (0.48) | TSHRGABRR1GABRR2BLMGABRR3 | |
| SCHEMBL4622339 | 0.75 | TSHR (0.46) | TSHRGABRR1GABRR2BLMGABRR3 |
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-113511971-A | 4-halogenated-2-methyl-2-ethyl crotonate and preparation method thereof | 上虞新和成生物化工有限公司 | 2021-10-19 | — | — | CN | disclosed |