Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20468019 | 0.90 | CA2 (0.50) | CA2CA1CA9CA12CA14 | |
| SCHEMBL4763600 | 0.89 | CA2 (0.52) | CA2CA1CA9CA12CA14 | |
| SCHEMBL4773947 | 0.84 | CA2 (0.53) | CA2CA1CA9CA12CA14 | |
| SCHEMBL26220863 | 0.83 | CA1 (0.46) | CA2CA1CA9CA12CA14 | |
| SCHEMBL9420457 | 0.81 | CA1 (0.48) | CA2CA1CA9CA12CA14 | |
| SCHEMBL28602028 | 0.77 | CA1 (0.57) | CA2CA1CA9CA12CA14 | |
| SCHEMBL24713986 | 0.76 | CA2 (0.47) | CA2CA1CA9CA12CA14 | |
| SCHEMBL7356440 | 0.76 | CA2 (0.47) | CA2CA1CA9CA12CA14 | |
| SCHEMBL7538187 | 0.75 | ALDH1A1 (0.56) | CA2CA1CA9CA12CA14 | |
| SCHEMBL30426244 | 0.75 | ALDH1A1 (0.56) | CA2CA1CA9CA12CA14 |
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-2019135010-A1 | TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS | Universität Zürich (CH) | 2019-07-11 | — | — | WO | disclosed |