Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.31 |
| ▸ | ALB | P02768 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL180426 | 0.87 | — | — | |
| Methane SCHEMBL27927444 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| Hydrochloric Acid SCHEMBL27691382 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| SCHEMBL28011857 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| Water SCHEMBL28100193 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| Magnesium SCHEMBL6436089 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| Ammonia Solution, Strong SCHEMBL27938961 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| Hydrogen Sulfide SCHEMBL28308551 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| Fluoride SCHEMBL28287723 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 | |
| SCHEMBL15271850 | 0.83 | CES2 (0.50) | CES2CES1BCHEACHESLC6A2 |
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-112573979-A | Application method of Grignard reaction | 大连奇凯医药科技有限公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-103665348-B | Thiophene copolymers and preparation method thereof | 深圳清华大学研究院 | 2016-08-17 | — | — | CN | disclosed |