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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL7800167 | 0.89 | HCAR2 (0.36) | HCAR2ALOX5ALDH1A1 | |
| Cyclohexylamine SCHEMBL8037665 | 0.86 | HCAR2 (0.35) | HCAR2ALOX5ALDH1A1PPARA | |
| Furan-3-Carbaldehyde SCHEMBL8212634 | 0.85 | HCAR2 (0.50) | HCAR2ALOX5ALDH1A1POLBTDP1 | |
| Lysine SCHEMBL8039218 | 0.81 | GSR (0.43) | ALOX5POLBTDP1KMT2A | |
| Benzaldehyde SCHEMBL7798223 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2D6NPC1RAB9A | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.79 | ALDH5A1 (0.47) | HCAR2ALDH1A1NPC1RAB9AKMT2A | |
| Cyclohexylamine SCHEMBL7802678 | 0.78 | CYP1A2 (0.42) | ALDH1A1NPC1RAB9AKMT2A | |
| Cyclohexylamine SCHEMBL7801490 | 0.78 | ALDH1A1 (0.54) | ALDH1A1RAB9AMAPTKMT2A | |
| 4-Formylpyridine SCHEMBL8041443 | 0.78 | CYP19A1 (0.40) | ALDH1A1POLBMAPTKMT2A | |
| Cyclohexylamine SCHEMBL7792125 | 0.78 | CACNA1B (0.41) | ALDH1A1POLBNPC1RAB9AMAPT |
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 |