Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 8/20 | 0.49 |
| ▸ | CA12 | O43570 | 7/20 | 0.49 |
| ▸ | CA2 | P00918 | 7/20 | 0.49 |
| ▸ | CA1 | P00915 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | OGA | O60502 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18755432 | 1.00 | CA9 (0.49) | CA9CA12CA2CA1TSHR | |
| SCHEMBL18755463 | 1.00 | CA9 (0.49) | CA9CA12CA2CA1TSHR | |
| SCHEMBL19646612 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR | |
| SCHEMBL22677696 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR | |
| SCHEMBL14217750 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR | |
| SCHEMBL24024779 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR | |
| SCHEMBL13129842 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR | |
| SCHEMBL22677780 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR | |
| SCHEMBL19806807 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR | |
| SCHEMBL18898852 | 0.89 | CA9 (0.58) | CA9CA12CA2CA1TSHR |
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-1370566-B1 | SYNTHETIC DERIVATIVES OF 21-BUTENYL AND RELATED SPINOSYNS | DOW AGROSCIENCES LLC (US) | 2017-04-19 | — | — | EP | disclosed |