Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | OXTR | P30559 | 3/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28358513 | 0.86 | PTGS2 (0.38) | PTGS1PTGS2PTPN1SLC22A12 | |
| SCHEMBL28123376 | 0.82 | PTGS2 (0.40) | PTGS1PTGS2PTPN1SLC22A12 | |
| SCHEMBL28354823 | 0.81 | PTGS1 (0.39) | CYP2A6PTGS1PTGS2CYP19A1KCNH2 | |
| SCHEMBL28354790 | 0.80 | CYP2A6 (0.41) | CYP2A6PTGS1PTGS2PTPN1CYP19A1 | |
| SCHEMBL28049141 | 0.80 | PTGS2 (0.45) | PTGS1PTGS2 | |
| SCHEMBL28049063 | 0.79 | FFAR4 (0.40) | PTGS1PTGS2 | |
| SCHEMBL28049099 | 0.79 | LMNA (0.35) | PTGS1PTGS2PTPN1EGFR | |
| SCHEMBL16049163 | 0.77 | CYP2A6 (0.41) | CYP2A6PTGS1PTGS2CYP19A1KCNH2 | |
| SCHEMBL20783001 | 0.76 | CYP2A6 (0.47) | CYP2A6PTPN1CYP19A1EGFRMKNK1 | |
| SCHEMBL16048887 | 0.72 | PRKCZ (0.45) | PTGS1PTGS2 |
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-106414434-B | Isothiazole derivatives as GPR120 agonists for the treatment of type II diabetes | 詹森药业有限公司 | 2019-12-31 | — | — | CN | disclosed |