Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 4/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL29048180 | 0.89 | ALDH1A1 (0.43) | GAACYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL29048178 | 0.88 | ALDH1A1 (0.33) | DAOGAACYP3A4MAPTCYP2C9 | |
| SCHEMBL29048171 | 0.88 | KCNN4 (0.41) | OPRL1DAOP2RX7TAAR1 | |
| SCHEMBL29048193 | 0.87 | PTGDR2 (0.42) | TP53GAAMAPT | |
| SCHEMBL29048167 | 0.82 | ALDH1A1 (0.49) | GAAMAPT | |
| SCHEMBL29048174 | 0.81 | ATM (0.38) | DAO | |
| SCHEMBL29048162 | 0.75 | PTGDR2 (0.43) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29048165 | 0.72 | HTR1A (0.44) | GAACYP3A4MAPTCYP2C19ADRA1B | |
| SCHEMBL29048160 | 0.71 | HTR1A (0.30) | — | |
| SCHEMBL29048188 | 0.67 | MT-CO2 (0.39) | GAAMAPTCYP2C9CYP2C19 |
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 |