Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | INSR | P06213 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28546126 | 0.80 | GRM5 (0.54) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL29712697 | 0.77 | MAPT (0.53) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL29712668 | 0.77 | MAPT (0.55) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL29712684 | 0.77 | ALDH1A1 (0.54) | CYP1A2ALDH1A1CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29712663 | 0.76 | GRM5 (0.44) | CYP1A2CYP3A4CYP2C19CYP2C9GRM5 | |
| SCHEMBL29712674 | 0.76 | PYCR1 (0.50) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL29712650 | 0.76 | EGLN1 (0.46) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL29543167 | 0.75 | ALDH1A1 (0.53) | CYP1A2ALDH1A1CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29712670 | 0.75 | GRM5 (0.59) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7424374 | 0.75 | ALDH1A1 (0.62) | CYP1A2ALDH1A1CYP3A4CYP2C19HSD17B10 |
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-110467572-B | Synthetic method of 3-sulfonyl quinoline derivative | 温州大学 | 2022-07-08 | — | — | CN | disclosed |