Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL30877241 | 0.93 | MET (0.39) | BRD4ALDH1A1PAK1METADORA3 | |
| SCHEMBL30877371 | 0.93 | CHRNB2 (0.44) | KCNH2ALKRIPK3PAK1MET | |
| SCHEMBL30877417 | 0.90 | PIM1 (0.38) | BRD4ALDH1A1MCOLN3GRM5KLK7 | |
| SCHEMBL30877294 | 0.89 | MAP3K7 (0.45) | PAK1MET | |
| SCHEMBL30877467 | 0.86 | GRM5 (0.34) | BRD4ALDH1A1MCOLN3GRM5KLK7 | |
| SCHEMBL29131767 | 0.85 | ALDH1A1 (0.40) | BRD4ALDH1A1MCOLN3KLK7L3MBTL1 | |
| SCHEMBL30877512 | 0.83 | KRAS (0.35) | AKR1C3NPC1RAB9AMET | |
| SCHEMBL30877321 | 0.82 | RAPGEF4 (0.43) | RIPK1AKR1C3ALDH1A1MCOLN3L3MBTL1 | |
| SCHEMBL30877402 | 0.82 | ALDH1A1 (0.38) | BRD4ALDH1A1MCOLN3GRM5KLK7 | |
| SCHEMBL30877349 | 0.80 | ALDH1A1 (0.38) | BRD4ALDH1A1MCOLN3KLK7L3MBTL1 |
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 |