Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29094176 | 1.00 | KLK7 (0.44) | KLK7ALDH1A1MAPK1TRPA1GSK3B | |
| SCHEMBL10368135 | 0.87 | KLK7 (0.43) | KLK7ALDH1A1MAPK1TRPA1GSK3B | |
| SCHEMBL11682931 | 0.84 | ANPEP (0.41) | ALDH1A1MAPK1TRPA1GSK3BHIF1A | |
| SCHEMBL14660286 | 0.84 | ALDH1A1 (0.63) | ALDH1A1MAPK1TRPA1GSK3BHIF1A | |
| SCHEMBL9699876 | 0.82 | KLK7 (0.47) | KLK7ALDH1A1 | |
| SCHEMBL9698724 | 0.82 | KLK7 (0.47) | KLK7ALDH1A1 | |
| SCHEMBL30595396 | 0.82 | SMN1; SMN2 (0.52) | ALDH1A1CYP3A4CYP2D6SMN1; SMN2RECQL | |
| SCHEMBL15464042 | 0.81 | CYP3A4 (0.42) | KLK7ALDH1A1MAPK1PPARACYP3A4 | |
| SCHEMBL2689211 | 0.81 | PPARA (0.50) | KLK7ALDH1A1PPARACYP3A4CYP2D6 | |
| SCHEMBL187655 | 0.81 | CYP3A4 (0.42) | KLK7ALDH1A1MAPK1GSK3BPPARA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116675593-A | Method for selectively removing hydroxyl protecting group | 大连理工大学 | 2023-09-01 | — | — | CN | disclosed |
| US-4064122-A | Hydroxy-substituted cephalosporins | ISHIMARU TOSHIYASU | 1977-12-20 | — | — | US | disclosed |