Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29048178 | 0.90 | ALDH1A1 (0.33) | ALDH1A1CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL29048157 | 0.89 | PPARD (0.39) | CYP3A4MAPTCYP2C9CYP2C19GAA | |
| SCHEMBL29048193 | 0.89 | PTGDR2 (0.42) | ALDH1A1MAPTPKMGAAL3MBTL1 | |
| SCHEMBL29048174 | 0.87 | ATM (0.38) | POLBMEN1KMT2A | |
| SCHEMBL29048167 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBGAA | |
| SCHEMBL29048171 | 0.81 | KCNN4 (0.41) | MEN1KMT2AKDM4E | |
| SCHEMBL29048162 | 0.77 | PTGDR2 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL29048165 | 0.76 | HTR1A (0.44) | ALDH1A1CYP3A4MAPTCYP2C19POLB | |
| SCHEMBL29048160 | 0.73 | HTR1A (0.30) | HTR2A | |
| SCHEMBL29048188 | 0.69 | MT-CO2 (0.39) | ALDH1A1MAPTCYP2C9CYP2C19GAA |
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-116283990-B | Application of substituted pyrrolidone compound as tumor necrosis factor inhibitor | 沈阳药科大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-116283990-A | Application of substituted pyrrolidone compound as tumor necrosis factor inhibitor | 沈阳药科大学 | 2023-06-23 | — | — | CN | disclosed |