Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29948771 | 0.85 | ALDH1A1 (0.55) | CES1CES2DGKAALDH1A1LMNA | |
| SCHEMBL28978660 | 0.81 | DGKA (0.52) | CES1CES2DGKAALDH1A1LMNA | |
| SCHEMBL8503383 | 0.81 | KDM6B (0.58) | CES1CES2DGKAALDH1A1TP53 | |
| SCHEMBL27824017 | 0.79 | CES1 (0.44) | CES1CES2DGKAALDH1A1TP53 | |
| SCHEMBL28214910 | 0.77 | CES1 (0.43) | CES1CES2DGKAALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL11793312 | 0.77 | CES1 (0.42) | CES1CES2DGKAALDH1A1TP53 | |
| SCHEMBL219326 | 0.74 | KDM6B (0.56) | CES1CES2DGKAALDH1A1LMNA | |
| SCHEMBL2169862 | 0.74 | ALDH1A1 (0.43) | CES1CES2DGKAALDH1A1TP53 | |
| SCHEMBL27959949 | 0.74 | ALDH1A1 (0.48) | CES1CES2DGKAALDH1A1TP53 | |
| SCHEMBL242588 | 0.74 | ALDH1A1 (0.68) | CES1CES2DGKAALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022194022-A1 | METHOD FOR PREPARING NALBUPHINE SEBACATE AND INTERMEDIATE THEREOF | 苏州恩华生物医药科技有限公司 | 2022-09-22 | — | — | WO | disclosed |