Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22771670 | 0.89 | CA12 (0.40) | KDM5AKDM4CCA12CA1CA9 | |
| SCHEMBL27258585 | 0.87 | THRA (0.39) | KDM5AKDM4CCA12CA1CA9 | |
| SCHEMBL25669085 | 0.86 | CA12 (0.34) | KDM5AKDM4CCA12CA1CA9 | |
| Hydrochloric Acid SCHEMBL22771618 | 0.83 | GBA1 (0.39) | KDM5AKDM4CCA12CA1CA9 | |
| SCHEMBL21916297 | 0.82 | CA12 (0.41) | KDM5AKDM4CCA12CA1CA9 | |
| Hydrochloric Acid SCHEMBL22771833 | 0.81 | PAOX (0.34) | PAOX | |
| SCHEMBL24240798 | 0.79 | PAOX (0.41) | KDM5AKDM4CCA12CA1CA9 | |
| SCHEMBL27415463 | 0.79 | KDM5A (0.40) | KDM5AKDM4CCA12CA1CA9 | |
| SCHEMBL217114 | 0.78 | KCNH2 (0.47) | KDM5AKDM4CCA12CA1CA9 | |
| SCHEMBL13522719 | 0.77 | CA12 (0.37) | CA12CA1CA9CA2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3269715-B1 | SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |