Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 8/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL19692906 | 1.00 | HTR6 (0.41) | HTR6HTR7CA2PKMHSD17B1 | |
| SCHEMBL19692929 | 0.93 | CA2 (0.41) | HTR6CA2PKMHSD17B1HSD17B2 | |
| SCHEMBL29650172 | 0.93 | CA2 (0.41) | HTR6CA2PKMHSD17B1HSD17B2 | |
| SCHEMBL19692879 | 0.81 | L3MBTL1 (0.45) | HTR6CA2PKMCA12CA1 | |
| SCHEMBL17443273 | 0.79 | ALDH1A1 (0.53) | HTR6CA2PKMCA12CA1 | |
| SCHEMBL1103915 | 0.75 | GAA (0.52) | HTR6HTR7CA2GAAMCOLN3 | |
| SCHEMBL19692949 | 0.74 | ALDH1A1 (0.52) | PKMGAACYP3A4 | |
| SCHEMBL21353648 | 0.74 | ALDH1A1 (0.52) | PKMGAACYP3A4 | |
| SCHEMBL5271496 | 0.71 | LMNA (0.51) | CA2PKMGAAMCOLN3CA1 | |
| SCHEMBL8280144 | 0.71 | HTR6 (0.41) | HTR6HTR7CA2PKMHSD17B1 |
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-109563103-B | Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2022-05-27 | — | — | CN | disclosed |