Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.65 |
| ▸ | PPARG | P37231 | 7/20 | 0.45 |
| ▸ | PPARA | Q07869 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3219664 | 0.89 | AAK1 (0.68) | AAK1PPARGPPARAITGA4ITGB7 | |
| SCHEMBL548007 | 0.89 | AAK1 (0.68) | AAK1PPARGPPARAITGA4ITGB7 | |
| SCHEMBL548006 | 0.89 | AAK1 (0.68) | AAK1PPARGPPARAITGA4ITGB7 | |
| SCHEMBL18511393 | 0.88 | AAK1 (0.65) | AAK1PPARGPPARAKMT2ACTSD | |
| SCHEMBL29389786 | 0.87 | AAK1 (0.62) | AAK1PPARGPPARAITGA4ITGB7 | |
| SCHEMBL22033186 | 0.87 | AAK1 (0.62) | AAK1PPARGPPARAITGA4ITGB7 | |
| SCHEMBL12568248 | 0.87 | AAK1 (0.62) | AAK1PPARGPPARAITGA4ITGB7 | |
| SCHEMBL30949483 | 0.87 | AAK1 (0.62) | AAK1PPARGPPARAMEN1KMT2A | |
| SCHEMBL21029148 | 0.86 | AAK1 (0.63) | AAK1PPARGPPARACTSDITGA4 | |
| SCHEMBL4367182 | 0.86 | AAK1 (0.63) | AAK1PPARGPPARACTSDITGA4 |
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 |