Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 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 | |
|---|---|---|---|---|
| SCHEMBL28653499 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP3A4RECQLMAPTPTGS1 | |
| SCHEMBL17469176 | 0.82 | CYP1A1 (0.50) | ALDH1A1CYP3A4MAPTPTGS1ALOX5 | |
| SCHEMBL5971251 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP3A4RECQLPTGS1PTGS2 | |
| SCHEMBL81659 | 0.79 | PTGS1 (0.55) | ALDH1A1CYP3A4RECQLPTGS1ALOX5 | |
| SCHEMBL81658 | 0.79 | PTGS1 (0.55) | ALDH1A1CYP3A4RECQLPTGS1ALOX5 | |
| SCHEMBL13231546 | 0.77 | PTGS1 (0.53) | ALDH1A1CYP3A4RECQLPTGS1ALOX5 | |
| SCHEMBL14958896 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP3A4RECQLPTGS1ALOX5 | |
| SCHEMBL82198 | 0.76 | CYP3A4 (0.52) | ALDH1A1CYP3A4RECQLMAPTPTGS1 | |
| SCHEMBL2088989 | 0.76 | ALDH1A1 (0.32) | ALDH1A1PTGS1ALOX5PTGS2TSHR | |
| SCHEMBL82199 | 0.76 | CYP3A4 (0.52) | ALDH1A1CYP3A4RECQLMAPTPTGS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117142916-B | Preparation method of allyl sulfone compound | 安徽金桐精细化学有限公司 | 2024-10-11 | — | — | CN | claimed |
| CN-117142916-A | Preparation method of allyl sulfone compound | 安徽金桐精细化学有限公司 | 2023-12-01 | — | — | CN | claimed |
| CN-117142916-B | Preparation method of allyl sulfone compound | 安徽金桐精细化学有限公司 | 2024-10-11 | — | — | CN | disclosed |
| CN-117142916-A | Preparation method of allyl sulfone compound | 安徽金桐精细化学有限公司 | 2023-12-01 | — | — | CN | disclosed |