Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | MDM4 | O15151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8354202 | 0.87 | HCAR2 (0.56) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL286112 | 0.87 | HCAR2 (0.56) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL286141 | 0.87 | HCAR2 (0.56) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL28347745 | 0.86 | HCAR2 (0.44) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL29279310 | 0.74 | TDP1 (0.39) | MAPTALDH1A1LMNATDP1KMT2A | |
| SCHEMBL16540449 | 0.74 | HCAR2 (0.54) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL15927354 | 0.74 | HCAR2 (0.54) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL21126304 | 0.73 | ATM (0.46) | HCAR2MAPTNPSR1ALDH1A1TDP1 | |
| SCHEMBL22897008 | 0.72 | HCAR2 (0.52) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL7796116 | 0.72 | HCAR2 (0.52) | HCAR2MAPTCA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117603069-A | 2-difluoro acetyl-3-dimethylamino ethyl acrylate compound, and preparation method and application thereof | 安徽泓泽新材料科技有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-117603070-A | 2-difluoro acetyl-3-dimethylamino ethyl acrylate compound, and preparation method and application thereof | 安徽泓泽新材料科技有限公司 | 2024-02-27 | — | — | CN | disclosed |