Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 7/20 | 0.37 |
| ▸ | CA2 | P00918 | 7/20 | 0.37 |
| ▸ | CA9 | Q16790 | 6/20 | 0.37 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23531817 | 0.85 | PTGS2 (0.51) | PTGS2CYP2A6CYP2B6PTGS1CA1 | |
| SCHEMBL23569410 | 0.78 | PTGS2 (0.51) | PTGS2CYP2A6CYP2B6PTGS1ESR1 | |
| SCHEMBL38664064 | 0.77 | AKR1B1 (0.42) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL6050630 | 0.73 | PTGS2 (0.72) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL23569877 | 0.71 | PTGS2 (0.42) | PTGS2CYP2A6CYP2B6ALDH1A1HPGD | |
| SCHEMBL2745162 | 0.71 | CYP2A6 (0.68) | PTGS2CYP2A6CYP2B6PTGS1ESR1 | |
| SCHEMBL6722863 | 0.68 | PTGS2 (0.53) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL23569069 | 0.67 | KDM4E (0.30) | ALDH1A1 | |
| SCHEMBL6050676 | 0.67 | PTGS2 (0.65) | PTGS2CYP2A6CYP2B6PTGS1RAB9A | |
| SCHEMBL544160 | 0.66 | CYP2A6 (0.56) | PTGS2CYP2A6CYP2B6ESR1ESR2 |
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-2021123237-A1 | 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | Oxford Drug Design Limited (GB) | 2021-06-24 | — | — | WO | disclosed |