Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | F12 | P00748 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL571023 | 0.81 | MAOA (0.39) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL17966171 | 0.76 | NFE2L2 (0.42) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL29273826 | 0.76 | NFE2L2 (0.42) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL17966172 | 0.76 | NFE2L2 (0.42) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL20919884 | 0.76 | MTNR1A (0.34) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL28301800 | 0.74 | PDE4A (0.41) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| SCHEMBL23978128 | 0.70 | F2 (0.46) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL28982611 | 0.70 | PTPN1 (0.41) | ALDH1A1MAPK1PTPN1GSK3BL3MBTL1 | |
| SCHEMBL17966190 | 0.69 | TSHR (0.46) | CES1ALDH1A1CES2TSHRAKT1 | |
| SCHEMBL17966192 | 0.69 | TSHR (0.46) | CES1ALDH1A1CES2TSHRAKT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118684548-A | Method for selective gem-difluoroallylation of (hetero) aryl phenols or polypeptides | 中国科学院上海有机化学研究所 | 2024-09-24 | — | — | CN | disclosed |
| CN-115260069-B | 3, 3-difluoroallylium salt compound and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2023-10-27 | — | — | CN | disclosed |
| WO-2023030279-A1 | 3, 3-DIFLUOROALLYLIC ONIUM SALT COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2023-03-09 | — | — | WO | disclosed |
| CN-115260069-A | 3,3-difluoroallylonium salt compound and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2022-11-01 | — | — | CN | disclosed |