Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.60 |
| ▸ | CA7 | P43166 | 6/20 | 0.60 |
| ▸ | CA9 | Q16790 | 6/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.60 |
| ▸ | CA1 | P00915 | 5/20 | 0.60 |
| ▸ | CA2 | P00918 | 4/20 | 0.60 |
| ▸ | TYR | P14679 | 3/20 | 0.60 |
| ▸ | AKR1B10 | O60218 | 5/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.55 |
| ▸ | F3 | P13726 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.49 |
| ▸ | CA6 | P23280 | 3/20 | 0.49 |
| ▸ | CA5A | P35218 | 3/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10760753 | 0.85 | GLA (0.55) | AKR1B10AKR1B1F3CYP2D6CYP2C9 | |
| SCHEMBL4122409 | 0.85 | GLA (0.55) | AKR1B10AKR1B1F3CYP2D6CYP2C9 | |
| SCHEMBL14300981 | 0.83 | CA12 (0.55) | CA12CA7CA9CA14CA1 | |
| SCHEMBL29397395 | 0.83 | APP (0.63) | CA12CA7CA9CA14CA1 | |
| SCHEMBL11095177 | 0.83 | CA12 (0.68) | CA12CA7CA9CA14CA1 | |
| SCHEMBL10891552 | 0.82 | CA12 (0.71) | CA12CA7CA9CA14CA1 | |
| SCHEMBL3314742 | 0.82 | CA12 (0.71) | CA12CA7CA9CA14CA1 | |
| SCHEMBL4578918 | 0.82 | CA12 (0.65) | CA12CA7CA9CA14CA1 | |
| SCHEMBL6389147 | 0.82 | CA12 (0.65) | CA12CA7CA9CA14CA1 | |
| SCHEMBL6536636 | 0.81 | CA12 (0.64) | CA12CA7CA9CA14CA1 |
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-2021097531-A1 | POLYIONIC CORROSION INHIBITORS | DEAKIN UNIVERSITY (AU) | 2021-05-27 | — | — | WO | disclosed |