Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.54 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL553847 | 0.88 | KLKB1 (0.53) | KLKB1RIPK1RXFP1NR1H2NR1H3 | |
| SCHEMBL25586765 | 0.82 | PLA2G10 (0.44) | KLKB1JAK2JAK1TYK2JAK3 | |
| SCHEMBL11583604 | 0.76 | KDM4E (0.51) | KLKB1RXFP1ADCY10LTB4R | |
| SCHEMBL31759486 | 0.75 | MAPK1 (0.32) | KLKB1L3MBTL1 | |
| SCHEMBL17231383 | 0.74 | ADRB2 (0.44) | KLKB1MEN1KMT2ARXFP1NR1H2 | |
| Hydrochloric Acid SCHEMBL6825781 | 0.74 | MAPK1 (0.31) | KLKB1POLB | |
| SCHEMBL22888302 | 0.72 | POLB (0.46) | MEN1KMT2APOLBL3MBTL1PARP1 | |
| SCHEMBL31201752 | 0.72 | RXFP1 (0.41) | KLKB1MEN1KMT2ARXFP1LTB4R | |
| SCHEMBL23081369 | 0.71 | RIPK1 (0.52) | KLKB1RIPK1POLB | |
| SCHEMBL25586552 | 0.71 | PKM (0.49) | JAK2JAK1TYK2JAK3PLA2G10 |
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-3816163-A1 | CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2021-05-05 | — | — | EP | disclosed |