Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.64 |
| ▸ | BTN3A1 | O00481 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30949485 | 1.00 | AAK1 (0.64) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL22754553 | 0.86 | AAK1 (0.65) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL22754552 | 0.86 | AAK1 (0.65) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL22754571 | 0.86 | AAK1 (0.65) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL17902787 | 0.85 | AAK1 (0.64) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL5142674 | 0.84 | MEN1 (0.44) | AAK1BTN3A1ALDH1A1KMT2ATSHR | |
| SCHEMBL30777019 | 0.83 | AAK1 (0.68) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL2325860 | 0.82 | AAK1 (0.71) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL24073054 | 0.82 | AAK1 (0.64) | AAK1BTN3A1ALDH1A1KMT2ASLC7A5 | |
| SCHEMBL24832134 | 0.82 | AAK1 (0.67) | AAK1ALDH1A1KMT2ASLC7A5CTSK |
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 |