Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.53 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952397 | 0.84 | ALDH1A1 (0.57) | ALDH1A1ALDH3A1ALDH1A3MAPTKDM4E | |
| SCHEMBL420424 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALDH3A1ALDH1A3MAPTKDM4E | |
| SCHEMBL10612062 | 0.82 | ALDH1A1 (0.66) | ALDH1A1ALDH3A1ALDH1A3MAPTKDM4E | |
| SCHEMBL7439082 | 0.81 | CNR2 (0.46) | ALDH1A1MAPTKDM4EGAAGLA | |
| SCHEMBL22562994 | 0.81 | ALDH1A1 (0.63) | ALDH1A1ALDH3A1ALDH1A3MAPTKDM4E | |
| SCHEMBL26836706 | 0.81 | ALDH1A1 (0.63) | ALDH1A1ALDH3A1ALDH1A3MAPTKDM4E | |
| SCHEMBL8626518 | 0.81 | ALDH1A1 (0.63) | ALDH1A1ALDH3A1ALDH1A3MAPTKDM4E | |
| SCHEMBL29952977 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ALDH3A1ALDH1A3KDM4EGAA | |
| SCHEMBL29956977 | 0.80 | SLC16A3 (0.40) | ALDH1A1MAPTKDM4EGAAHPGD | |
| SCHEMBL10010383 | 0.80 | ALDH1A1 (0.61) | ALDH1A1ALDH3A1ALDH1A3MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |