Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.37 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12235829 | 0.81 | ACHE (0.61) | CASP3ALDH1A1POLBRXFP1CES1 | |
| SCHEMBL4738314 | 0.78 | CASP3 (0.47) | CASP3ALDH1A1POLBRXFP1CES1 | |
| SCHEMBL18954678 | 0.75 | CASP3 (0.45) | CASP3ALDH1A1POLBRXFP1CES1 | |
| SCHEMBL4737000 | 0.74 | PARK7 (0.55) | CASP3ALDH1A1POLBRXFP1CES1 | |
| SCHEMBL28984984 | 0.74 | PARK7 (0.65) | CASP3ALDH1A1CASP7CA12CA2 | |
| SCHEMBL31621243 | 0.74 | PARK7 (0.65) | CASP3ALDH1A1CASP7CA12CA2 | |
| SCHEMBL18954827 | 0.74 | CA2 (0.61) | CASP3CASP7CA12CA2CA9 | |
| SCHEMBL950088 | 0.72 | CASP3 (0.72) | CASP3ALDH1A1CES1ACHECA12 | |
| SCHEMBL29724215 | 0.72 | CASP3 (0.72) | CASP3ALDH1A1CES1ACHECA12 | |
| SCHEMBL4624979 | 0.71 | CASP3 (0.55) | CASP3CASP7CA12CA2CA9 |
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 |