Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11066725 | 0.83 | NTRK3 (0.41) | PTGESCA12CA2CA7CA9 | |
| SCHEMBL11062987 | 0.81 | RET (0.42) | PTGESCA12CA2CA7CA9 | |
| SCHEMBL2004460 | 0.80 | CA12 (0.43) | PTGESCA12CA2CA7CA9 | |
| SCHEMBL1997613 | 0.73 | MEN1 (0.43) | PTGESCA12CA9KMT2AMEN1 | |
| SCHEMBL3287696 | 0.62 | ACHE (0.73) | CA2CA7CA9ALDH1A1HSD17B10 | |
| SCHEMBL197731 | 0.62 | ACHE (0.73) | CA2CA7CA9ALDH1A1HSD17B10 | |
| SCHEMBL18661495 | 0.62 | ACHE (0.73) | CA2CA7CA9ALDH1A1HSD17B10 | |
| SCHEMBL21471512 | 0.61 | MCL1 (0.52) | CA12CA9KMT2AMEN1POLB | |
| SCHEMBL11362260 | 0.60 | ACHE (0.81) | CA12CA2CA9KMT2AMEN1 | |
| SCHEMBL894975 | 0.60 | ACHE (0.81) | CA12CA2CA9KMT2AMEN1 |
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-4428956-A | GLYCOLATE OXIDASE INHIBITORS | MERCK & CO., INC. (US) | 1984-01-31 | — | — | US | disclosed |