Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.39 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6574765 | 0.78 | RELA (0.33) | ALDH1A1TDP1CYP3A4TSHRMEN1 | |
| SCHEMBL2624868 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL2494427 | 0.74 | — | — | |
| SCHEMBL715942 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL11115657 | 0.74 | CA1 (0.58) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL7867836 | 0.74 | IDO1 (0.33) | — | |
| SCHEMBL5828142 | 0.74 | — | — | |
| SCHEMBL6570976 | 0.74 | CYP2A6 (0.42) | ALDH1A1MAPK1MAOAMAPTMEN1 | |
| SCHEMBL13665389 | 0.74 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL4460171 | 0.74 | MEN1 (0.50) | ALDH1A1TDP1CYP3A4MAPTMEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929695-B | Sulfimide psoralen derivatives, and preparation method and application thereof | 南开大学 | 2024-06-07 | — | — | CN | claimed |
| CN-117486662-A | Method for synthesizing sulfoxide compound by heterogeneous catalysis | 成都理工大学 | 2024-02-02 | — | — | CN | claimed |
| CN-122010800-A | A kind of substituted thiophenol is a process for the selective alkylation of | 大连理工大学 | 2026-05-12 | — | — | CN | disclosed |
| CN-113929695-B | Sulfimide psoralen derivatives, and preparation method and application thereof | 南开大学 | 2024-06-07 | — | — | CN | disclosed |
| CN-117486662-A | Method for synthesizing sulfoxide compound by heterogeneous catalysis | 成都理工大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-113651734-B | Method for catalytically oxidizing thioether into sulfone | 成都理工大学 | 2023-02-14 | — | — | CN | disclosed |
| CN-113929695-A | Sulfenimide psoralen derivatives, and preparation method and application thereof | 南开大学 | 2022-01-14 | — | — | CN | disclosed |