Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 3/20 | 0.40 |
| ▸ | MC5R | P33032 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 2/20 | 0.39 |
| ▸ | MC1R | Q01726 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL30489877 | 0.88 | HDAC3 (0.35) | CYP2A6CYP1A2KMT2A | |
| SCHEMBL17192021 | 0.84 | ALDH1A1 (0.45) | CYP2A6CYP1A2MC5RTDP1 | |
| SCHEMBL17300464 | 0.83 | CYP1A2 (0.47) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| Anthracene SCHEMBL28806106 | 0.82 | GRIN1 (0.41) | KMT2A | |
| SCHEMBL6008132 | 0.79 | CYP1A2 (0.60) | CYP2A6CYP1A2KMT2AHTR2AHTR2C | |
| SCHEMBL15131175 | 0.78 | MC5R (0.71) | KMT2AMC4RMC5RMC3RMC1R | |
| SCHEMBL13887515 | 0.77 | GRIN2D (0.43) | CYP1A2KMT2A | |
| SCHEMBL13619601 | 0.76 | ALDH1A1 (0.49) | HRH3 | |
| SCHEMBL14003508 | 0.76 | ALDH1A1 (0.49) | CYP1A2KMT2A | |
| SCHEMBL14189703 | 0.76 | HDAC3 (0.45) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109232284-B | Polysubstituted enamine aldehyde derivative and preparation method thereof | 华侨大学 | 2021-05-11 | — | — | CN | claimed |
| CN-119101052-A | Matrine-triazole derivative and synthesis method thereof | 吉林医药学院 | 2024-12-10 | — | — | CN | disclosed |
| CN-117658992-A | Benzimidazole compound, preparation method and pharmaceutical application thereof | 中国医学科学院药物研究所 | 2024-03-08 | — | — | CN | disclosed |
| CN-110041274-B | Method for preparing 5-fluoroalkyl triazole compound by air oxidation multi-component one-pot method | 河南师范大学 | 2022-12-13 | — | — | CN | disclosed |
| CN-113692276-A | NURR1 receptor modulators | 加利福尼亚大学董事会 | 2021-11-23 | — | — | CN | disclosed |
| CN-109096211-B | Preparation method of polysubstituted triazole derivative | 华侨大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-109232284-B | Polysubstituted enamine aldehyde derivative and preparation method thereof | 华侨大学 | 2021-05-11 | — | — | CN | disclosed |
| CN-110041274-A | A kind of method that the multicomponent one kettle way of air oxidation prepares 5- fluoroalkylation triazole compound | 河南师范大学 | 2019-07-23 | — | — | CN | disclosed |