Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.43 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7995142 | 0.89 | ALDH1A1 (0.67) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| SCHEMBL22303151 | 0.84 | ALDH1A1 (0.57) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| SCHEMBL12268202 | 0.84 | ALDH1A1 (0.61) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| SCHEMBL1811811 | 0.84 | ALDH1A1 (0.61) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| SCHEMBL7239668 | 0.84 | ALDH1A1 (0.57) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| SCHEMBL17869298 | 0.83 | F2 (0.54) | ALDH1A1KMT2ATSHRCYP1A2CYP2D6 | |
| SCHEMBL12841983 | 0.83 | ALDH1A1 (0.60) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| SCHEMBL3696787 | 0.83 | GABBR2 (0.66) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| SCHEMBL1811944 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 | |
| Hydrochloric Acid SCHEMBL3696785 | 0.81 | GABBR2 (0.64) | ALDH1A1KCNA5KMT2AGABBR2GABBR1 |
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-106029649-B | Ethynyl derivatives | 豪夫迈·罗氏有限公司 | 2019-02-12 | — | — | CN | disclosed |