Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | LPL | P06858 | 2/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL69849 | 0.75 | ENPP2 (0.50) | ENPP2KDM4EALDH1A1NLRP3LPL | |
| Hydrochloric Acid SCHEMBL2357506 | 0.73 | ENPP2 (0.48) | ENPP2KDM4EALDH1A1NLRP3LPL | |
| SCHEMBL4546339 | 0.73 | MAPT (0.50) | ALDH1A1 | |
| SCHEMBL789866 | 0.73 | ENPP2 (0.70) | ENPP2KDM4EALDH1A1LPLLIPG | |
| SCHEMBL8066416 | 0.72 | ENPP2 (0.52) | ENPP2KDM4EALDH1A1NLRP3MGLL | |
| SCHEMBL18856695 | 0.72 | MEN1 (0.48) | KDM4EALDH1A1CA7CA14 | |
| SCHEMBL17067055 | 0.72 | ENPP2 (0.47) | ENPP2KDM4EALDH1A1LPLLIPG | |
| SCHEMBL14120387 | 0.72 | ENPP2 (0.47) | ENPP2KDM4EALDH1A1LPLLIPG | |
| SCHEMBL8489270 | 0.71 | ENPP2 (0.50) | ENPP2KDM4EALDH1A1NLRP3MGLL | |
| Hydrochloric Acid SCHEMBL11100912 | 0.71 | ENPP2 (0.50) | ENPP2KDM4EALDH1A1NLRP3MGLL |
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-108368083-B | Heteroaryl compounds and their use as therapeutic agents | 东亚首希控股股份有限公司 | 2022-02-01 | — | — | CN | disclosed |