Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 5/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.45 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28721761 | 1.00 | HSPB1 (0.45) | HSPB1S1PR4AMY1AHTTLMNA | |
| SCHEMBL28718983 | 0.88 | HSPB1 (0.60) | HSPB1S1PR4HTTLMNAKMT2A | |
| SCHEMBL29548613 | 0.88 | HSPB1 (0.60) | HSPB1S1PR4HTTLMNAKMT2A | |
| SCHEMBL29548923 | 0.86 | HSPB1 (0.54) | HSPB1S1PR4HTTLMNAKMT2A | |
| SCHEMBL28721150 | 0.86 | HSPB1 (0.54) | HSPB1S1PR4HTTLMNAKMT2A | |
| SCHEMBL20443239 | 0.81 | S1PR4 (0.41) | HSPB1S1PR4AMY1AHTTLMNA | |
| SCHEMBL28721084 | 0.81 | HSPB1 (0.53) | HSPB1S1PR4HTTLMNAKMT2A | |
| SCHEMBL29549136 | 0.80 | HSPB1 (0.59) | HSPB1S1PR4HTTLMNAKMT2A | |
| SCHEMBL28937963 | 0.80 | HSPB1 (0.59) | HSPB1S1PR4HTTLMNAKMT2A | |
| SCHEMBL29549165 | 0.80 | BRD4 (0.37) | KMT2AMAPTALDH1A1MAPK1L3MBTL1 |
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-110041253-B | Pyridine N-oxide derivative and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-03-29 | — | — | CN | disclosed |