Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 6/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27579924 | 0.79 | ALDH1A1 (0.43) | ALDH1A1PDE7APOLBMEN1KMT2A | |
| SCHEMBL15271018 | 0.77 | ALDH1A1 (0.47) | ALDH1A1PDE7APOLBMEN1KMT2A | |
| SCHEMBL28588307 | 0.73 | ALDH1A1 (0.46) | ALDH1A1PDE7APOLBMEN1KMT2A | |
| SCHEMBL85657 | 0.73 | PDE7A (0.50) | ALDH1A1PDE7APOLBMEN1KMT2A | |
| SCHEMBL3312418 | 0.72 | ALDH1A1 (0.50) | ALDH1A1PDE7AMEN1KMT2AHTT | |
| SCHEMBL31618848 | 0.71 | ALDH1A1 (0.44) | ALDH1A1PDE7APOLBMEN1KMT2A | |
| SCHEMBL2436697 | 0.71 | ALDH1A1 (0.62) | ALDH1A1PDE7APOLBMEN1KMT2A | |
| SCHEMBL29250782 | 0.71 | ALDH1A1 (0.44) | ALDH1A1PDE7APOLBMEN1KMT2A | |
| SCHEMBL28375616 | 0.71 | ALDH1A1 (0.49) | ALDH1A1PDE7AMEN1KMT2AHTT | |
| SCHEMBL3284587 | 0.71 | CES2 (0.34) | — |
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-116528864-A | Heteroaryl carboxamide compounds | 安斯泰来制药株式会社 | 2023-08-01 | — | — | CN | disclosed |