Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.68 |
| ▸ | GAA | P10253 | 7/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | GLA | P06280 | 4/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29674721 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAAPOLBNPSR1HSD17B10 | |
| SCHEMBL29674586 | 0.92 | ALDH1A1 (0.56) | ALDH1A1GAAPOLBNPSR1HSD17B10 | |
| SCHEMBL24439225 | 0.92 | ALDH1A1 (0.56) | ALDH1A1GAAPOLBNPSR1HSD17B10 | |
| SCHEMBL24438722 | 0.92 | ALDH1A1 (0.56) | ALDH1A1GAAPOLBNPSR1HSD17B10 | |
| SCHEMBL29674654 | 0.89 | ALDH1A1 (0.50) | ALDH1A1GAAPOLBNPSR1KDM4E | |
| SCHEMBL24438663 | 0.84 | ALDH1A1 (0.43) | ALDH1A1GAAPOLBNPSR1KDM4E | |
| SCHEMBL24439231 | 0.84 | ALDH1A1 (0.43) | ALDH1A1GAAPOLBNPSR1MAPK1 | |
| SCHEMBL24439013 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GAAPOLBNPSR1MAPK1 | |
| SCHEMBL29603521 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAAPOLBNPSR1KDM4E | |
| SCHEMBL24438661 | 0.82 | ALDH1A1 (0.41) | ALDH1A1GAAPOLBNPSR1HSD17B10 |
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-2022103280-A1 | METHANOGEN INHIBITORS | PASTORAL GREENHOUSE GAS RESEARCH LTD (NZ) | 2022-05-19 | — | — | WO | disclosed |