Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 11/20 | 0.49 |
| ▸ | CA1 | P00915 | 11/20 | 0.49 |
| ▸ | CA2 | P00918 | 11/20 | 0.49 |
| ▸ | CA9 | Q16790 | 7/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 4/20 | 0.37 |
| ▸ | CA5A | P35218 | 4/20 | 0.37 |
| ▸ | CA7 | P43166 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14339480 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL12083315 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL19954491 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL5018117 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL23483196 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL24149168 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL24996814 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL23743617 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL13612794 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 | |
| SCHEMBL25785684 | 1.00 | CA12 (0.49) | CA12CA1CA2CA9CYP2D6 |
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-2021113620-A1 | ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE | FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) | 2021-06-10 | — | — | WO | disclosed |