Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL2010840 | 0.79 | CA1 (0.33) | HTTCA1CA2MAPT | |
| SCHEMBL18322219 | 0.73 | HTT (0.53) | HTTCA1CA2DYRK1AIMPDH2 | |
| SCHEMBL59702 | 0.73 | CA1 (0.69) | HTTCA1CA2DYRK1AIMPDH2 | |
| SCHEMBL45954 | 0.71 | CA1 (0.54) | HTTCA1CA2DYRK1AIMPDH2 | |
| SCHEMBL29489124 | 0.71 | CA1 (0.54) | HTTCA1CA2DYRK1AIMPDH2 | |
| Hydrochloric Acid SCHEMBL25405344 | 0.71 | CA1 (0.67) | HTTCA1CA2DYRK1AIMPDH2 | |
| SCHEMBL818940 | 0.71 | HTT (0.52) | HTTCA1CA2DYRK1AIMPDH2 | |
| SCHEMBL28118590 | 0.71 | CA1 (0.67) | HTTCA1CA2DYRK1AIMPDH2 | |
| Hydrogen Sulfide SCHEMBL29288363 | 0.71 | CA1 (0.67) | HTTCA1CA2DYRK1AIMPDH2 | |
| Ammonia Solution, Strong SCHEMBL27660602 | 0.71 | CA1 (0.67) | HTTCA1CA2DYRK1AIMPDH2 |
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-104768948-B | Alternatively 4- formamido group-isoindoline ketone derivatives of property PARP-1 inhibitor | 内尔维阿诺医学科学有限公司 | 2018-11-27 | — | — | CN | disclosed |