Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 5/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.89 |
| ▸ | HTT | P42858 | 3/20 | 0.89 |
| ▸ | POLB | P06746 | 1/20 | 0.89 |
| ▸ | GAA | P10253 | 2/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.73 |
| ▸ | MEN1 | O00255 | 4/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.73 |
| ▸ | LMNA | P02545 | 5/20 | 0.66 |
| ▸ | USP2 | O75604 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL8199860 | 1.00 | PKM (0.89) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL8583228 | 0.94 | PKM (1.00) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL3110096 | 0.94 | PKM (1.00) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL7953663 | 0.94 | PKM (1.00) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL30415581 | 0.94 | PKM (1.00) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL10006069 | 0.94 | PKM (1.00) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL8502340 | 0.94 | PKM (1.00) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL10409988 | 0.93 | PKM (0.96) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL8193968 | 0.93 | PKM (0.96) | PKMALDH1A1HTTPOLBGAA | |
| SCHEMBL4102676 | 0.93 | PKM (0.96) | PKMALDH1A1HTTPOLBGAA |
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-6084093-A | SUBSTITUTED 1,4,7,10,13-PENTAAZACYCLOPENTADECANE MACROCYCLIC LIGANDS; MANGANESE COMPLEXES OF THE LIGAND ARE MIMICS OF SUPEROXIDE DISMUTASE; USEFUL AS THERAPEUTIC AGENTS FOR INFLAMMATORY DISEASES | G. D. SEARLE & CO. (US) | 2000-07-04 | — | — | US | disclosed |