Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 8/20 | 0.34 |
| ▸ | CA12 | O43570 | 7/20 | 0.34 |
| ▸ | CA1 | P00915 | 7/20 | 0.34 |
| ▸ | CA2 | P00918 | 7/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | OGA | O60502 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2454869 | 1.00 | CA9 (0.34) | CA9CA12CA1CA2TSHR | |
| SCHEMBL9050829 | 1.00 | CA9 (0.34) | CA9CA12CA1CA2TSHR | |
| SCHEMBL7924602 | 1.00 | CA9 (0.34) | CA9CA12CA1CA2TSHR | |
| SCHEMBL2835405 | 0.88 | CA12 (0.31) | CA9CA12CA1CA2TSHR | |
| SCHEMBL2835403 | 0.88 | CA12 (0.31) | CA9CA12CA1CA2TSHR | |
| SCHEMBL16549878 | 0.86 | TSHR (0.32) | CA9CA12CA1CA2TSHR | |
| SCHEMBL16546868 | 0.86 | TSHR (0.35) | CA9CA12CA1CA2TSHR | |
| SCHEMBL18392644 | 0.84 | NLRP3 (0.33) | CA9CA12CA1CA2TSHR | |
| SCHEMBL1682632 | 0.82 | CD69 (0.32) | CA9CA12CA1CA2TSHR | |
| SCHEMBL8144846 | 0.82 | TSHR (0.32) | CA9CA12CA1CA2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3046566-B1 | METHODS AND MATERIALS FOR TREATING LIVER STEATOSIS | UNIV NEW YORK STATE RES FOUND (US) | 2020-12-02 | — | — | EP | disclosed |