Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2113726 | 0.70 | MEN1 (0.45) | L3MBTL1NPC1KDM4EGAAHSD17B10 | |
| SCHEMBL4036878 | 0.70 | L3MBTL1 (0.37) | L3MBTL1NPC1KDM4EGAAPDE10A | |
| SCHEMBL31466596 | 0.69 | CASP1 (0.46) | CYP1A2PDE10AAURKAALDH1A1 | |
| SCHEMBL1269262 | 0.68 | KDM4E (0.50) | L3MBTL1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14822948 | 0.64 | KMT2A (0.49) | CYP2C19KDM4EGAASMN1; SMN2AURKA | |
| SCHEMBL1503 | 0.63 | — | — | |
| SCHEMBL13502523 | 0.61 | DAO (0.33) | L3MBTL1HCAR2DAOKDM4EGAA | |
| SCHEMBL14376712 | 0.61 | NOS3 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL30877458 | 0.61 | LMNA (0.42) | L3MBTL1NPC1KDM4EGAAHSD17B10 | |
| SCHEMBL29150915 | 0.61 | — | — |
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 |