Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22705654 | 0.80 | HCRTR1 (0.44) | SMN1; SMN2MAPTLMNAENPP2HCRTR1 | |
| SCHEMBL22705498 | 0.78 | ENPP2 (0.38) | HDAC6SMN1; SMN2MAPTLMNAENPP2 | |
| SCHEMBL22705449 | 0.76 | ENPP2 (0.38) | HDAC6ENPP2HCRTR1HCRTR2HDAC1 | |
| SCHEMBL12890751 | 0.70 | CHRM2 (0.43) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL24597834 | 0.69 | HDAC6 (0.39) | HDAC6HCRTR1HCRTR2HDAC1HDAC8 | |
| SCHEMBL24597827 | 0.68 | HCRTR1 (0.46) | SMN1; SMN2MAPTLMNAENPP2HCRTR1 | |
| SCHEMBL22705500 | 0.68 | HCRTR1 (0.46) | SMN1; SMN2MAPTLMNAENPP2HCRTR1 | |
| SCHEMBL22705433 | 0.68 | LMNA (0.47) | MAPTLMNAENPP2HCRTR1HCRTR2 | |
| SCHEMBL9963155 | 0.67 | HDAC6 (0.43) | HDAC6HDAC1HDAC8HDAC5 | |
| SCHEMBL22705454 | 0.65 | CPT1A (0.44) | ENPP2HCRTR1HCRTR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020233618-A1 | INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 (CN) | 2020-11-26 | — | — | WO | disclosed |