Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25756855 | 0.87 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNAHTTMAPK1 | |
| SCHEMBL25756934 | 0.87 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNAHTTMAPK1 | |
| SCHEMBL25756864 | 0.87 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNAHTTMAPK1 | |
| SCHEMBL498047 | 0.85 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNAHTTPOLB | |
| SCHEMBL6791446 | 0.84 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNAHTTMAPK1 | |
| SCHEMBL2791323 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPTLMNAHTTMAPK1 | |
| SCHEMBL1407841 | 0.73 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAHTTMAPK1 | |
| SCHEMBL25756955 | 0.72 | GAA (0.37) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL31095611 | 0.71 | CASP3 (0.48) | ALDH1A1MAPTLMNAHTTMAPK1 | |
| SCHEMBL28175907 | 0.71 | CYP1A2 (0.49) | ALDH1A1MAPTLMNAHTTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023119334-A1 | ANTI-CANCER COMPOUND BY COMBINING PONATINIB MOLECULE WITH HDAC INHIBITOR MOLECULE USING A VARIABLE LENGTH LINKER | AMRITA VISHWA VIDYAPEETHAM (IN) | 2023-06-29 | — | — | WO | disclosed |