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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.38 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 SCHEMBL7800151 | 0.89 | ALDH1A1 (0.65) | ALDH1A1POLBMEN1KMT2AHSD17B3 | |
| Cyclohexylamine SCHEMBL8039363 | 0.88 | ALDH1A1 (0.47) | ALDH1A1POLBMEN1KMT2AHSD17B3 | |
| Cyclohexylamine SCHEMBL8039367 | 0.88 | ALDH1A1 (0.47) | ALDH1A1POLBMEN1KMT2AHSD17B3 | |
| 3-Hydroxybenzaldehyde SCHEMBL7798346 | 0.86 | POLB (0.41) | POLBMEN1KMT2AMAOAMAOB | |
| Benzaldehyde SCHEMBL7798223 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AL3MBTL1PTGDR2 | |
| Cyclohexylamine SCHEMBL7792713 | 0.85 | TP53 (0.44) | MEN1KMT2AMAOAMAOBUNG | |
| 3-Formylbenzoic Acid SCHEMBL7800848 | 0.85 | UNG (0.59) | MAOAMAOBUNG | |
| Cyclohexylamine SCHEMBL7802678 | 0.84 | CYP1A2 (0.42) | ALDH1A1MEN1KMT2APTGDRPTGDR2 | |
| Lysine SCHEMBL8037742 | 0.83 | ALDH1A1 (0.42) | ALDH1A1POLBMEN1KMT2AMAOA | |
| Lysine SCHEMBL8037738 | 0.83 | ALDH1A1 (0.42) | ALDH1A1POLBMEN1KMT2AMAOA |
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 |