Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Cyclohexylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLK2 | Q86UE8 | 2/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7802079 | 0.89 | TLK2 (0.34) | TLK2JAK3PBK | |
| Glycine SCHEMBL8214385 | 0.86 | TBXAS1 (0.39) | TLK2TBXAS1 | |
| Cyclopropane SCHEMBL27774257 | 0.76 | TLK2 (0.37) | TLK2 | |
| Cyclohexylamine SCHEMBL7798297 | 0.75 | TLK2 (0.36) | TLK2 | |
| 4-Formylpyridine SCHEMBL8041443 | 0.74 | CYP19A1 (0.40) | — | |
| Cyclohexylamine SCHEMBL7803065 | 0.74 | EPHX2 (0.39) | — | |
| 2-Pyridinecarboxaldehyde SCHEMBL8039124 | 0.74 | HPGD (0.40) | — | |
| Cyclohexylamine SCHEMBL27975474 | 0.72 | GLRA1 (0.50) | — | |
| Benzaldehyde SCHEMBL7798223 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL7021 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |