Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28754527 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TP53GAAMAPTSMN1; SMN2 | |
| SCHEMBL28754548 | 0.74 | ERN1 (0.34) | ALDH1A1TP53MAPTSMN1; SMN2 | |
| SCHEMBL8578207 | 0.65 | GAA (0.59) | ALDH1A1TP53GAAMAPTTSHR | |
| SCHEMBL209431 | 0.63 | — | — | |
| SCHEMBL722827 | 0.63 | ALDH1A1 (0.32) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28161817 | 0.63 | ERN1 (0.35) | ALDH1A1TP53MAPTSMN1; SMN2 | |
| SCHEMBL8578012 | 0.62 | LTA4H (0.45) | ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL107161 | 0.61 | MEN1 (0.40) | ALDH1A1TP53GAAMAPTTSHR | |
| SCHEMBL29434165 | 0.61 | MEN1 (0.40) | ALDH1A1TP53GAAMAPTTSHR | |
| SCHEMBL136256 | 0.61 | TP53 (0.35) | ALDH1A1TP53GAAMAPTTSHR |
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-110183394-B | Method for preparing 3-cyanoethyl-2-alkyl-4H-benzoxazine from bromoacetonitrile under blue light irradiation condition | 常州大学 | 2022-04-26 | — | — | CN | disclosed |