Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 8/20 | 0.40 |
| ▸ | SLC26A6 | Q9BXS9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23337254 | 0.84 | HCAR2 (0.58) | HCAR2RIPK1KLKB1 | |
| SCHEMBL28042800 | 0.84 | NR1H2 (0.49) | RIPK1KLKB1 | |
| SCHEMBL29757046 | 0.83 | HCAR2 (0.50) | HCAR2RIPK1MAPK1KLKB1 | |
| SCHEMBL28824358 | 0.70 | RNASEH1 (0.56) | RIPK1KLKB1 | |
| SCHEMBL23337455 | 0.70 | RIPK1 (0.41) | HCAR2RIPK1KLKB1 | |
| SCHEMBL3104472 | 0.69 | SMN1; SMN2 (0.53) | SLC26A6KDM4ESMN1; SMN2KLKB1LMNA | |
| SCHEMBL23219610 | 0.67 | ALPL (0.49) | RIPK1KLKB1 | |
| SCHEMBL15957045 | 0.67 | PTGES (0.53) | HCAR2SLC26A6KDM4EALDH1A1HPGD | |
| SCHEMBL30091541 | 0.67 | PTGES (0.53) | HCAR2SLC26A6KDM4EALDH1A1HPGD | |
| SCHEMBL15964751 | 0.67 | HCAR2 (0.69) | HCAR2SLC26A6L3MBTL1PTGESALOX5 |
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 |