Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.65 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.57 |
| ▸ | WNT3A | P56704 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.54 |
| ▸ | YAP1 | P46937 | 1/20 | 0.54 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.54 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2379125 | 1.00 | CES2 (0.65) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL25348845 | 0.86 | CES2 (0.61) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL30758861 | 0.85 | CES2 (0.69) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL1712437 | 0.84 | CES2 (0.67) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL2073691 | 0.84 | ACHE (0.72) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL7376684 | 0.83 | CES2 (0.57) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL29393834 | 0.83 | ALDH1A1 (0.55) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL22556774 | 0.83 | ALDH1A1 (0.55) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL5660597 | 0.82 | CES2 (0.56) | CES2CTNNB1WNT3AALDH1A1POLB | |
| SCHEMBL311526 | 0.82 | CES2 (0.65) | CES2CTNNB1WNT3AALDH1A1POLB |
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-118388332-A | Preparation method of m-trifluoromethyl acetophenone | 浙江予睿化学科技有限公司 | 2024-07-26 | — | — | CN | claimed |