Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983185 | 0.69 | TP53 (0.35) | ALDH1A1 | |
| SCHEMBL7983167 | 0.65 | GGPS1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL7980854 | 0.62 | KDM4E (0.38) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL7980756 | 0.60 | KDM4E (0.48) | ALDH1A1KDM4EPKMHPGDHSD17B10 | |
| SCHEMBL11008179 | 0.60 | ALDH1A1 (0.73) | ALDH1A1KDM4EPKMHPGDHSD17B10 | |
| SCHEMBL7979860 | 0.59 | PDE10A (0.42) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL7986554 | 0.59 | CDK8 (0.38) | — | |
| SCHEMBL7981104 | 0.59 | SSTR4 (0.35) | — | |
| SCHEMBL7979856 | 0.58 | HSD17B10 (0.51) | ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL7983156 | 0.57 | CYP2C19 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |