Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL515424 | 0.81 | ATM (0.48) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL6027480 | 0.81 | ATM (0.48) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL515423 | 0.81 | ATM (0.48) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL498532 | 0.79 | ATM (0.52) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL16787362 | 0.77 | ATM (0.45) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL17188465 | 0.77 | ATM (0.45) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL9310815 | 0.77 | MAOA (0.57) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL2806416 | 0.77 | ATM (0.45) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL22567026 | 0.77 | ATM (0.45) | ATMCES2CES1ESR1ESR2 | |
| SCHEMBL6159698 | 0.77 | ATM (0.45) | ATMCES2CES1ESR1ESR2 |
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-116354781-A | Synthesis method of organic thioether compound | 江南大学 | 2023-06-30 | — | — | CN | disclosed |