Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9260797 | 0.87 | ALDH1A1 (0.44) | CA2CYP3A4ALDH1A1CA12CA9 | |
| SCHEMBL11529174 | 0.80 | LMNA (0.57) | PKMCA2CYP3A4ALDH1A1CA12 | |
| SCHEMBL3279948 | 0.80 | KMT2A (0.51) | PKMHTR6ALDH1A1 | |
| SCHEMBL8398078 | 0.79 | LOXL2 (0.43) | CA2HTR6ALDH1A1LMNATSHR | |
| SCHEMBL811749 | 0.79 | MEN1 (0.47) | PKMMMP2HTR6ALDH1A1 | |
| SCHEMBL4243805 | 0.79 | ATM (0.42) | HSD17B2CA2MMP2HTR6ALDH1A1 | |
| SCHEMBL11888413 | 0.78 | MAPT (0.51) | CA2ALDH1A1LMNACA1 | |
| SCHEMBL28291855 | 0.78 | PKM (0.41) | HSD17B1HSD17B2PKMCA2MMP2 | |
| SCHEMBL29650282 | 0.77 | PSIP1 (0.56) | HSD17B1HSD17B2PKMCA2MMP2 | |
| SCHEMBL2642996 | 0.77 | PSIP1 (0.56) | HSD17B1HSD17B2PKMCA2MMP2 |
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 |