Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL235 | 0.83 | ALDH1A1 (0.80) | CES2CES1ALDH1A1LMNASRD5A2 | |
| SCHEMBL259065 | 0.83 | ALDH1A1 (0.80) | CES2CES1ALDH1A1LMNASRD5A2 | |
| SCHEMBL10877169 | 0.83 | ALDH1A1 (0.80) | CES2CES1ALDH1A1LMNASRD5A2 | |
| Benzophenone SCHEMBL5162782 | 0.83 | ALDH1A1 (0.80) | CES2CES1ALDH1A1LMNASRD5A2 | |
| SCHEMBL30728581 | 0.83 | CES2 (0.50) | CES2CES1ALDH1A1LMNASRD5A2 | |
| Hydrochloric Acid SCHEMBL4593809 | 0.81 | ALDH1A1 (0.76) | CES2CES1ALDH1A1LMNASRD5A2 | |
| Hydrochloric Acid SCHEMBL4593815 | 0.81 | ALDH1A1 (0.76) | CES2CES1ALDH1A1LMNASRD5A2 | |
| SCHEMBL9500551 | 0.81 | ALDH1A1 (0.76) | CES2CES1ALDH1A1LMNASRD5A2 | |
| Bicarbonate SCHEMBL9817083 | 0.81 | ALDH1A1 (0.76) | CES2CES1ALDH1A1LMNASRD5A2 | |
| Toluene SCHEMBL10782841 | 0.79 | ALDH1A1 (0.80) | CES2CES1ALDH1A1LMNASRD5A2 |
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 |