Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30295400 | 1.00 | CES2 (0.35) | CES2CES1SCN9APSEN1PSEN2 | |
| SCHEMBL15273731 | 0.85 | CES2 (0.35) | CES2CES1CA3CA6CA5A | |
| SCHEMBL15273744 | 0.85 | CES2 (0.35) | CES2CES1CA3CA6CA5A | |
| SCHEMBL15273618 | 0.83 | PDE2A (0.44) | CES2CES1AOC3 | |
| SCHEMBL20021547 | 0.80 | CES2 (0.49) | CES2CES1SCN9APSEN1PSEN2 | |
| SCHEMBL24277970 | 0.79 | CES2 (0.39) | CES2CES1CA3CA6CA5A | |
| SCHEMBL16959797 | 0.79 | PSEN1 (0.33) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL15273919 | 0.76 | MEN1 (0.40) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL12303658 | 0.76 | CES2 (0.49) | CES2CES1SCN9APSEN1PSEN2 | |
| SCHEMBL15273660 | 0.76 | MEN1 (0.40) | CES2CES1PSEN1PSEN2APH1B |
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-115916754-A | Heteroaromatic macrocyclic ether chemotherapeutic agents | 纽威伦特公司 | 2023-04-04 | — | — | CN | disclosed |