Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.66 |
| ▸ | CA1 | P00915 | 1/20 | 0.66 |
| ▸ | CA2 | P00918 | 1/20 | 0.66 |
| ▸ | CA9 | Q16790 | 1/20 | 0.66 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.65 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.62 |
| ▸ | CASP3 | P42574 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | CMA1 | P23946 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL4782178 | 0.85 | CHRM5 (0.68) | CA12CA1CA2CA9PARK7 | |
| SCHEMBL4736417 | 0.82 | PARK7 (0.73) | CA12CA1CA2CA9PARK7 | |
| SCHEMBL3021031 | 0.80 | CHRM5 (0.72) | CA12CA1CA2CA9PARK7 | |
| SCHEMBL4738038 | 0.80 | PARK7 (0.75) | CA12CA1CA2CA9PARK7 | |
| SCHEMBL4735891 | 0.80 | CHRM5 (0.68) | CA12CA1CA2CA9PARK7 | |
| SCHEMBL18955136 | 0.80 | CA1 (1.00) | CA12CA1CA2CA9CHRM5 | |
| SCHEMBL4735921 | 0.79 | PARK7 (1.00) | CA12CA1CA2CA9PARK7 | |
| SCHEMBL29460856 | 0.79 | CASP3 (0.76) | CA12CA1CA2CA9CHRM5 | |
| SCHEMBL2305451 | 0.79 | CASP3 (0.76) | CA12CA1CA2CA9CHRM5 | |
| SCHEMBL4739205 | 0.77 | CASP3 (0.54) | CA12CA1CA2CA9PARK7 |
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-2008074078-A1 | SELECTIVELY DELIVERABLE ISATIN-BASED CYTOTOXIC AGENTS | UNIVERSITY OF WOLLONGONG (AU) | 2008-06-26 | — | — | WO | disclosed |