Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.65 |
| ▸ | PPARG | P37231 | 9/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 9/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | POLQ | O75417 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25319741 | 0.86 | AAK1 (0.65) | AAK1PPARGPPARAMAOBLMNA | |
| SCHEMBL29254128 | 0.83 | AAK1 (0.61) | AAK1PPARGPPARAPOLBITGA4 | |
| SCHEMBL16671958 | 0.83 | AAK1 (0.61) | AAK1PPARGPPARAEPHX2LMNA | |
| SCHEMBL25318293 | 0.83 | AAK1 (0.61) | AAK1PPARGPPARAMAOBMAOA | |
| SCHEMBL30949488 | 0.83 | AAK1 (0.61) | AAK1PPARGPPARAPOLBITGA4 | |
| SCHEMBL21029257 | 0.83 | AAK1 (0.61) | AAK1PPARGPPARALMNATACR1 | |
| SCHEMBL30949486 | 0.81 | AAK1 (0.65) | AAK1PPARGPPARAMAOBEPHX2 | |
| SCHEMBL548007 | 0.81 | AAK1 (0.68) | AAK1PPARGPPARAPOLBITGA4 | |
| SCHEMBL548006 | 0.81 | AAK1 (0.68) | AAK1PPARGPPARAPOLBITGA4 | |
| SCHEMBL3219664 | 0.81 | AAK1 (0.68) | AAK1PPARGPPARAPOLBITGA4 |
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-118005531-A | Synthesis method of chiral unnatural amino acid derivative | 内蒙古大学 | 2024-05-10 | — | — | CN | disclosed |