Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4508862 | 0.98 | LMNA (0.41) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31147083 | 0.98 | LMNA (0.41) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28913322 | 0.97 | LMNA (0.40) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31223252 | 0.86 | CYP1A2 (0.36) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6673408 | 0.85 | CYP1A2 (0.47) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9076945 | 0.84 | LMNA (0.41) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28519054 | 0.84 | LMNA (0.41) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| Potassium Ion SCHEMBL28912524 | 0.84 | LMNA (0.33) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28559043 | 0.84 | LMNA (0.33) | LMNAATMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3437073 | 0.82 | CDK1 (0.40) | ATMCYP1A2CYP3A4CYP2D6MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112645853-A | Preparation method of 2-chloro-3-alkoxymethyl-4-methylsulfonylbenzoic acid | 江西天宇化工有限公司 | 2021-04-13 | — | — | CN | disclosed |