Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28726906 | 0.98 | CA12 (0.40) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL2093021 | 0.91 | HDAC6 (0.36) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL19379541 | 0.87 | CES2 (0.39) | ALDH1A1MEN1KMT2ACES2TSHR | |
| SCHEMBL5548192 | 0.85 | HDAC6 (0.53) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL2264321 | 0.82 | IDO1 (0.32) | HDAC6 | |
| SCHEMBL28903671 | 0.82 | CES2 (0.34) | ALDH1A1MEN1KMT2ACES2TSHR | |
| SCHEMBL28390013 | 0.82 | HDAC1 (0.38) | HDAC6MEN1KMT2ACES2 | |
| SCHEMBL28740119 | 0.82 | CA1 (0.35) | CA12CA1CA2CA9HDAC6 | |
| SCHEMBL6061006 | 0.81 | ACHE (0.42) | ALDH1A1CES2TSHRCYP3A4 | |
| SCHEMBL7717988 | 0.80 | CA12 (0.40) | CA12CA1CA2CA9HDAC6 |
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-109073647-A | Droplet interior surface engineering for capture of molecular targets | 斯特拉斯堡大学 | 2018-12-21 | — | — | CN | disclosed |