Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12961258 | 0.78 | CA2 (0.35) | CA2CA12CA9PRMT5WDR77 | |
| SCHEMBL28291826 | 0.78 | HSD17B1 (0.43) | PKMHSD17B1HSD17B2CA2MMP2 | |
| SCHEMBL1051160 | 0.76 | PRMT5 (0.60) | PKMCA2MMP2CA12ALDH1A1 | |
| SCHEMBL27516562 | 0.75 | HSD17B2 (0.42) | PKMHSD17B1HSD17B2CA2MMP2 | |
| SCHEMBL10985765 | 0.72 | HSD17B2 (0.42) | PKMHSD17B1HSD17B2CA2MMP2 | |
| Water SCHEMBL28054479 | 0.70 | HSD17B2 (0.41) | PKMHSD17B1HSD17B2CA2MMP2 | |
| SCHEMBL25279490 | 0.69 | CA1 (0.44) | CA2MMP2CA12CA9 | |
| SCHEMBL336511 | 0.69 | AGER (0.44) | PKMCA2CYP3A4CA12ALDH1A1 | |
| SCHEMBL10340796 | 0.68 | CA2 (0.61) | PKMHSD17B1HSD17B2CA2HTR6 | |
| SCHEMBL31146723 | 0.68 | CA2 (0.61) | PKMHSD17B1HSD17B2CA2HTR6 |
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-A | modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2019-04-02 | — | — | CN | disclosed |