Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.82 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.82 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | UNG | P13051 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL28324856 | 0.94 | ALDH1A1 (0.93) | ALDH1A1CYP2A6ALDH5A1ABATKMT2A | |
| Benzaldehyde SCHEMBL28945328 | 0.94 | ALDH1A1 (0.93) | ALDH1A1CYP2A6ALDH5A1ABATKMT2A | |
| Benzaldehyde SCHEMBL28351048 | 0.91 | ALDH1A1 (0.88) | ALDH1A1CYP2A6ALDH5A1ABATKMT2A | |
| Benzaldehyde SCHEMBL1945023 | 0.91 | ALDH1A1 (0.88) | ALDH1A1CYP2A6ALDH5A1ABATKMT2A | |
| Benzaldehyde SCHEMBL9236967 | 0.91 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CYP2A6ALDH5A1ABATKMT2A | |
| Benzaldehyde SCHEMBL573 | 0.91 | — | — | |
| Benzaldehyde SCHEMBL10051945 | 0.91 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CYP2A6ALDH5A1ABATKMT2A | |
| Benzaldehyde SCHEMBL1330097 | 0.91 | — | — |
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-116283810-B | Preparation method of isoxazole compound | 上海麦克林生化科技股份有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-116283810-A | Preparation method of isoxazole compound | 上海麦克林生化科技股份有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116283810-B | Preparation method of isoxazole compound | 上海麦克林生化科技股份有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-116283810-A | Preparation method of isoxazole compound | 上海麦克林生化科技股份有限公司 | 2023-06-23 | — | — | CN | disclosed |