Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | BCL9 | O00512 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29948810 | 0.85 | CES1 (0.46) | ALDH1A1CES2CES1TSHRLMNA | |
| SCHEMBL291621 | 0.79 | — | — | |
| SCHEMBL29139113 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM6BKDM5CEGLN1PHF8 | |
| Hydrochloric Acid SCHEMBL519616 | 0.77 | KDM6B (0.60) | ALDH1A1CES2CES1KDM6BKDM5C | |
| SCHEMBL17686889 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CES2CES1KDM6BKDM5C | |
| SCHEMBL28937863 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CES2CES1KDM6BKDM5C | |
| SCHEMBL2001795 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CES2CES1KDM6BKDM5C | |
| SCHEMBL8786935 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CES2CES1KDM6BKDM5C | |
| SCHEMBL4760570 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CES2CES1KDM6BKDM5C | |
| SCHEMBL17686900 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CES2CES1KDM6BKDM5C |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |