Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30877402 | 0.92 | ALDH1A1 (0.38) | ALDH1A1PKMNPC1BRD4NPSR1 | |
| SCHEMBL30877239 | 0.85 | BRD4 (0.41) | ALDH1A1NPC1BRD4NPSR1MCOLN3 | |
| SCHEMBL30877349 | 0.84 | ALDH1A1 (0.38) | ALDH1A1PKMNPC1BRD4NPSR1 | |
| SCHEMBL30877411 | 0.84 | BRD4 (0.38) | ALDH1A1PKMNPC1BRD4NPSR1 | |
| SCHEMBL30877341 | 0.83 | BRD4 (0.38) | ALDH1A1PKMKITBRD4NPSR1 | |
| SCHEMBL30877241 | 0.83 | MET (0.39) | ALDH1A1BRD4FGFR3 | |
| SCHEMBL30877387 | 0.82 | ALDH1A1 (0.36) | ALDH1A1PKMNPC1BRD4NPSR1 | |
| SCHEMBL30877292 | 0.82 | BRD4 (0.35) | ALDH1A1PKMNPC1BRD4NPSR1 | |
| SCHEMBL30877417 | 0.82 | PIM1 (0.38) | ALDH1A1LRRK2KITBRD4NPSR1 | |
| SCHEMBL30877365 | 0.81 | ALDH1A1 (0.35) | ALDH1A1BRD4NPSR1MCOLN3L3MBTL1 |
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 3 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 |
| CN-117098763-A | TYK2 inhibitors | 渤健马萨诸塞州股份有限公司 | 2023-11-21 | — | — | CN | disclosed |