Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Agmatine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.35 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.47 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.47 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.40 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4274867 | 0.88 | ZDHHC20 (0.58) | ALOX15ZDHHC20ZDHHC2ALDH1A1TSHR | |
| Agmatine SCHEMBL27810392 | 0.85 | PAOX (0.46) | ALOX15ZDHHC20ZDHHC2PAOXDDAH1 | |
| SCHEMBL12465059 | 0.85 | ZDHHC20 (0.53) | ALOX15ZDHHC20ZDHHC2ALDH1A1TSHR | |
| Agmatine SCHEMBL196302 | 0.85 | ALOX15 (0.61) | ALOX15PAOXDDAH1TSHRMEN1 | |
| Agmatine SCHEMBL4535578 | 0.85 | ALOX15 (0.61) | ALOX15PAOXDDAH1TSHRMEN1 | |
| SCHEMBL109443 | 0.85 | ZDHHC20 (0.62) | ALOX15ZDHHC20ZDHHC2PAOXDDAH1 | |
| SCHEMBL2631347 | 0.83 | ZDHHC20 (0.66) | ZDHHC20ZDHHC2PAOXDDAH1ALDH1A1 | |
| SCHEMBL976830 | 0.83 | ZDHHC20 (0.66) | ZDHHC20ZDHHC2PAOXDDAH1ALDH1A1 | |
| Sulfuric Acid SCHEMBL22440174 | 0.83 | ALOX15 (0.59) | ALOX15PAOXDDAH1MEN1CYP1A2 | |
| Sulfuric Acid SCHEMBL12803040 | 0.83 | ALOX15 (0.59) | ALOX15PAOXDDAH1MEN1CYP1A2 |
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-2009146321-A9 | LIGAND FUNCTIONALIZED SUBSTRATES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |