Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.65 |
| ▸ | CES1 | P23141 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL93276 | 0.97 | CES2 (0.68) | CES2CES1ALDH1A1POLBALOX15 | |
| SCHEMBL28272323 | 0.97 | CES2 (0.68) | CES2CES1ALDH1A1POLBALOX15 | |
| SCHEMBL29368196 | 0.97 | CES2 (0.68) | CES2CES1ALDH1A1POLBALOX15 | |
| SCHEMBL27789297 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Hydrochloric Acid SCHEMBL28189200 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Fluoride SCHEMBL28124330 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Selenium SCHEMBL30382145 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Methane SCHEMBL27605788 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Phosphine SCHEMBL28793716 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1POLBALOX15 | |
| Benzene SCHEMBL27886201 | 0.95 | ALDH1A1 (0.70) | CES2CES1ALDH1A1POLBALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110198957-A | The functionalization and its composition in situ of polysaccharide | 纳幕尔杜邦公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-107862974-A | Benzamide production line instructional device | 河南莱帕克化工设备制造有限公司 | 2018-03-30 | — | — | CN | disclosed |
| CN-105143230-B | Tricyclic compound for suppressing CFTR passages | 诺华股份有限公司 | 2017-06-09 | — | — | CN | disclosed |