Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GCK | P35557 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL29131784 | 0.85 | ALDH1A1 (0.39) | ALDH1A1LMNAPOLBL3MBTL1CA1 | |
| SCHEMBL30877446 | 0.85 | ALDH1A1 (0.40) | ALDH1A1LMNAPOLBL3MBTL1CA1 | |
| SCHEMBL30877324 | 0.82 | RAPGEF4 (0.43) | CYP3A4CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL29131776 | 0.78 | NPC1 (0.40) | ALDH1A1POLBL3MBTL1CA1CA2 | |
| SCHEMBL30877425 | 0.76 | ALDH1A1 (0.44) | ALDH1A1LMNAPOLBL3MBTL1CA1 | |
| SCHEMBL29131767 | 0.73 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1NPSR1KLK7BRD4 | |
| SCHEMBL29131772 | 0.73 | TP53 (0.39) | ALDH1A1POLBL3MBTL1CA1CA2 | |
| SCHEMBL30877462 | 0.72 | ALDH1A1 (0.42) | ALDH1A1POLBL3MBTL1CA1CA2 | |
| SCHEMBL28733308 | 0.69 | ALDH1A1 (0.47) | ALDH1A1LMNAPOLBL3MBTL1CA1 | |
| SCHEMBL17809691 | 0.69 | CYP2C19 (0.49) | CYP3A4CYP2C19ALDH1A1LMNAPOLB |
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 |