Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4011048 | 1.00 | CA12 (0.47) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL13150839 | 0.79 | TP53 (0.43) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL13150879 | 0.79 | TP53 (0.43) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL5536049 | 0.78 | TP53 (0.47) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL6592409 | 0.78 | TP53 (0.47) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL14679339 | 0.78 | TP53 (0.47) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL7632176 | 0.78 | TP53 (0.47) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL3996792 | 0.78 | TP53 (0.47) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL1874858 | 0.78 | TP53 (0.47) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL27818821 | 0.77 | THRB (0.41) | CA12CA1CA2MMP2CA9 |
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-7541456-B2 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-06-02 | — | — | US | disclosed |