Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | FABP4 | P15090 | 3/20 | 0.46 |
| ▸ | FABP3 | P05413 | 2/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28702397 | 0.93 | ALDH1A1 (0.68) | ALDH1A1FABP4FABP3FABP5NR4A1 | |
| SCHEMBL15714492 | 0.75 | ALDH1A1 (1.00) | ALDH1A1FABP4FABP3FABP5NR4A1 | |
| SCHEMBL30175514 | 0.75 | ALDH1A1 (1.00) | ALDH1A1FABP4FABP3FABP5NR4A1 | |
| SCHEMBL29573519 | 0.75 | ALDH1A1 (1.00) | ALDH1A1FABP4FABP3FABP5NR4A1 | |
| SCHEMBL28696765 | 0.74 | ACMSD (0.49) | ALDH1A1NR4A2ATMCDC25B | |
| SCHEMBL11926728 | 0.73 | NR4A2 (0.55) | ALDH1A1NR4A2MYCPOLBKDM4E | |
| Phthalic Acid SCHEMBL27457285 | 0.73 | ALDH1A1 (0.78) | ALDH1A1NR4A1NR4A2NR4A3MYC | |
| SCHEMBL28691497 | 0.72 | KMT2A (0.48) | ALDH1A1NR4A1MYCHPGDHSD17B10 | |
| SCHEMBL14657482 | 0.72 | ALDH1A1 (0.73) | ALDH1A1FABP4FABP3FABP5NR4A1 | |
| SCHEMBL30443363 | 0.72 | ALDH1A1 (0.53) | ALDH1A1FABP4FABP3FABP5POLB |
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 |