Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.92 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.52 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| 1,3,5-Trimethoxybenzene SCHEMBL28740008 | 1.00 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28416912 | 0.92 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL27603737 | 0.88 | ALDH1A1 (0.85) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28834629 | 0.85 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL1402759 | 0.85 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL9488488 | 0.85 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL2954516 | 0.85 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL12501 | 0.82 | ALDH1A1 (0.73) | ALDH1A1CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL116606 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A1CYP1B1CA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112679292-A | Synthesis method of secondary sulfonamide compound | 复旦大学 | 2021-04-20 | — | — | CN | claimed |
| CN-112679292-B | Synthesis method of secondary sulfonamide compound | 复旦大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-112679292-A | Synthesis method of secondary sulfonamide compound | 复旦大学 | 2021-04-20 | — | — | CN | disclosed |