Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | UNG | P13051 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.31 |
| ▸ | ABAT | P80404 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL10626721 | 0.79 | ALDH1A1 (0.78) | ALDH1A1CYP2A6TSHRKMT2ALMNA | |
| Fluorobenzene SCHEMBL28977123 | 0.76 | NFE2L2 (0.35) | ALDH1A1TSHR | |
| Benzaldehyde SCHEMBL10626726 | 0.74 | ALDH1A1 (0.70) | ALDH1A1CYP2A6TSHRKMT2ALMNA | |
| Benzaldehyde SCHEMBL8216173 | 0.73 | ALDH1A1 (0.88) | ALDH1A1CYP2A6TSHRKMT2ALMNA | |
| Benzaldehyde SCHEMBL28115640 | 0.73 | ALDH1A1 (0.88) | ALDH1A1CYP2A6TSHRKMT2ALMNA | |
| Benzaldehyde SCHEMBL1607821 | 0.73 | ALDH1A1 (0.88) | ALDH1A1CYP2A6TSHRKMT2ALMNA | |
| Benzaldehyde SCHEMBL1330097 | 0.73 | — | — | |
| Benzaldehyde SCHEMBL9236967 | 0.73 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.73 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.73 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRKMT2ALMNA |
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-116178197-A | (Z) -N-substituted enaminone derivative, preparation method and application thereof | 浙江医药股份有限公司新昌制药厂 | 2023-05-30 | — | — | CN | disclosed |