Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | PARK7 | Q99497 | 4/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4737000 | 0.81 | PARK7 (0.55) | CASP3ALDH1A1POLBRXFP1PARK7 | |
| SCHEMBL4739094 | 0.78 | CASP3 (0.50) | CASP3ALDH1A1POLBRXFP1PARK7 | |
| SCHEMBL4625371 | 0.72 | ALDH1A1 (0.48) | CASP3ALDH1A1POLBRXFP1CES1 | |
| SCHEMBL12235829 | 0.69 | ACHE (0.61) | CASP3ALDH1A1POLBRXFP1PARK7 | |
| SCHEMBL4736417 | 0.68 | PARK7 (0.73) | CASP3PARK7MAPTTP53CA12 | |
| SCHEMBL18954689 | 0.66 | CASP3 (0.55) | CASP3ALDH1A1POLBRXFP1MAPT | |
| SCHEMBL13442855 | 0.65 | CASP3 (1.00) | CASP3ALDH1A1POLBRXFP1MAPT | |
| SCHEMBL950088 | 0.64 | CASP3 (0.72) | CASP3ALDH1A1PARK7MAPTLMNA | |
| SCHEMBL29724215 | 0.64 | CASP3 (0.72) | CASP3ALDH1A1PARK7MAPTLMNA | |
| SCHEMBL5671733 | 0.63 | CASP3 (0.52) | CASP3ALDH1A1POLBRXFP1MAPT |
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 |