Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30728586 | 0.83 | CES2 (0.58) | CES2CES1ALDH1A1NPSR1LMNA | |
| SCHEMBL29532048 | 0.76 | CES2 (0.50) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL6763915 | 0.76 | ALDH1A1 (0.50) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL30728585 | 0.75 | CES2 (0.50) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL516740 | 0.72 | ALDH1A1 (0.46) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL8053369 | 0.70 | PTGS2 (0.69) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL2925327 | 0.70 | PTGS2 (0.69) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL8154212 | 0.68 | ALDH1A1 (0.43) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL16922640 | 0.68 | ALDH1A1 (0.43) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL9421083 | 0.68 | ALDH1A1 (0.48) | CES2CES1ALDH1A1HTTNPSR1 |
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-117447370-A | Preparation method of aggregation-induced emission material tetraaryl divinyl sulfide | 山西蓬勃健康科技有限公司 | 2024-01-26 | — | — | CN | disclosed |