Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.63 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Anisaldehyde SCHEMBL28120176 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP2A6KDM4EF3MAPT | |
| 1,4-Dimethoxybenzene SCHEMBL10978346 | 0.82 | ADRB1 (0.53) | ALDH1A1HTR3EHTR3BADRB1HTR3A | |
| Morpholine SCHEMBL28439560 | 0.81 | CYP2A6 (0.59) | ALDH1A1CYP2A6ADRB1KDM4EMAPT | |
| Anisaldehyde SCHEMBL1100 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6KDM4EF3THRB | |
| Anisaldehyde SCHEMBL717471 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6KDM4EF3THRB | |
| Morpholine SCHEMBL27881753 | 0.79 | ACHE (0.58) | HTR3EHTR3BADRB1HTR3AHTR3D | |
| Anisaldehyde SCHEMBL31123393 | 0.78 | ALDH1A1 (0.95) | ALDH1A1CYP2A6KDM4EF3THRB | |
| Anisaldehyde SCHEMBL1477047 | 0.78 | ALDH1A1 (0.95) | ALDH1A1CYP2A6KDM4EF3THRB | |
| Anisaldehyde SCHEMBL29966134 | 0.78 | ALDH1A1 (0.95) | ALDH1A1CYP2A6KDM4EF3THRB | |
| Anisaldehyde SCHEMBL1475478 | 0.78 | ALDH1A1 (0.95) | ALDH1A1CYP2A6KDM4EF3THRB |
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-111574477-B | Synthesis method of amide compound | 湖南大学 | 2024-06-28 | — | — | CN | disclosed |
| CN-111574477-A | Synthesis method of amide compound | 湖南大学 | 2020-08-25 | — | — | CN | disclosed |
| CN-109666950-A | method for electrochemically synthesizing tetrazole compound | 浙江工业大学 | 2019-04-23 | — | — | CN | disclosed |