Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL23612200 | 0.89 | MEN1 (0.36) | GAA | |
| SCHEMBL22769757 | 0.78 | AHR (0.55) | PTGS2AHRCYP2A6CYP19A1SLC6A2 | |
| SCHEMBL30417137 | 0.78 | AHR (0.55) | PTGS2AHRCYP2A6CYP19A1SLC6A2 | |
| SCHEMBL23612167 | 0.76 | GUSB (0.37) | GAA | |
| SCHEMBL23167896 | 0.74 | GPR84 (0.56) | AHR | |
| SCHEMBL15792482 | 0.70 | GPR84 (0.50) | SLC6A4 | |
| SCHEMBL23612189 | 0.69 | CYP2A6 (0.73) | PTGS2AHRCYP2A6CYP19A1SLC6A2 | |
| SCHEMBL23166049 | 0.68 | HTR6 (0.38) | — | |
| SCHEMBL24214820 | 0.68 | GPR84 (0.50) | CYP2A6SLC6A4NR4A2GAA | |
| SCHEMBL31006022 | 0.68 | TSHR (0.52) | NR4A2 |
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-2021138434-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY | IFM DUE, INC. (US) | 2021-07-08 | — | — | WO | disclosed |