Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL30877369 | 1.00 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDL3MBTL1MAPK1 | |
| SCHEMBL15586787 | 0.81 | MAOA (0.39) | ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2 | |
| SCHEMBL29285182 | 0.79 | CCNA2 (0.37) | LRRK2PTGDR2PTGS2HSD11B1 | |
| SCHEMBL29285170 | 0.72 | PTGDR2 (0.41) | ALDH1A1KDM4EHPGDL3MBTL1MAPK1 | |
| SCHEMBL30877263 | 0.71 | ALDH3A1 (0.42) | ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2 | |
| SCHEMBL29285186 | 0.70 | CREBBP (0.34) | LRRK2PTGDR2 | |
| SCHEMBL28952200 | 0.68 | L3MBTL1 (0.46) | ALDH1A1L3MBTL1TDP1MAPTALDH3A1 | |
| SCHEMBL29711925 | 0.68 | L3MBTL1 (0.46) | ALDH1A1L3MBTL1TDP1MAPTALDH3A1 | |
| SCHEMBL1356338 | 0.66 | CDK2 (0.39) | ALDH1A1L3MBTL1TDP1MAPTMEN1 | |
| SCHEMBL2315165 | 0.66 | ALDH1A1 (0.41) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2ALDH3A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117964643-B | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-117964643-A | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-05-03 | — | — | CN | disclosed |