Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 5/20 | 0.68 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 2/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | CMA1 | P23946 | 1/20 | 0.51 |
| ▸ | APAF1 | O14727 | 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 | |
|---|---|---|---|---|
| SCHEMBL4734834 | 0.85 | CA12 (0.66) | CHRM5PARK7ACHECA12CA1 | |
| SCHEMBL28026703 | 0.83 | ACHE (0.67) | CHRM5ACHECA12CA1CA2 | |
| SCHEMBL31667682 | 0.82 | CASP3 (0.62) | CHRM5PARK7ACHECASP3GSK3A | |
| SCHEMBL15206958 | 0.82 | ALDH1A1 (0.78) | CHRM5ACHECA12CA1CA2 | |
| SCHEMBL3014022 | 0.81 | CHRM5 (0.67) | CHRM5PARK7ACHECA12CA1 | |
| SCHEMBL2305451 | 0.81 | CASP3 (0.76) | CHRM5ACHECA12CA1CA2 | |
| SCHEMBL29460856 | 0.81 | CASP3 (0.76) | CHRM5ACHECA12CA1CA2 | |
| Nitrogen SCHEMBL28297413 | 0.80 | ALDH1A1 (0.74) | CHRM5ACHECA12CA1CA2 | |
| SCHEMBL7245333 | 0.79 | ACHE (0.56) | CHRM5PARK7ACHECA12CA1 | |
| SCHEMBL4735921 | 0.78 | PARK7 (1.00) | CHRM5PARK7CA12CA1CA2 |
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 |