Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 3/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.42 |
| ▸ | FABP3 | P05413 | 2/20 | 0.42 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30777263 | 0.86 | ALDH1A1 (0.47) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL12258332 | 0.78 | KDM4E (0.62) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL28702397 | 0.77 | ALDH1A1 (0.68) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL6762046 | 0.75 | ALDH1A1 (0.44) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL6764032 | 0.72 | KDM4E (0.43) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL17914255 | 0.72 | KDM4E (0.47) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| Nitrous Acid SCHEMBL29022262 | 0.72 | ALDH1A1 (0.60) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL9890967 | 0.71 | KDM4E (0.59) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL24930809 | 0.70 | ALDH1A1 (0.50) | ALDH1A1POLBKDM4EATML3MBTL1 | |
| SCHEMBL23186880 | 0.70 | KDM4E (0.52) | ALDH1A1POLBKDM4EATML3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117500499-A | Substituted indole compounds and methods of use thereof | 奇努克治疗公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-116425700-A | Method for preparing alkylsulfonyl ketone compound by utilizing photocatalysis micro-channel | 南京工业大学 | 2023-07-14 | — | — | CN | disclosed |
| CN-116283974-A | Method for preparing alkylsulfonyl indole [2,1, a ] isoquinoline derivative by utilizing photocatalysis micro-channel | 南京工业大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-116283975-A | Method for preparing alkylated indole [2,1, a ] isoquinoline derivative by utilizing photocatalysis microchannel | 南京工业大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-114989112-B | Method for preparing enamine compound by utilizing photocatalysis micro-channel | 南京工业大学 | 2023-06-16 | — | — | CN | disclosed |