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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 SCHEMBL7792881 | 0.89 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2HCAR2HPGDRAB9A | |
| 2-Thiophenenecarboxaldehyde SCHEMBL8216441 | 0.85 | HCAR2 (0.50) | ALDH1A1SMN1; SMN2HCAR2HPGDRAB9A | |
| Benzaldehyde SCHEMBL7798223 | 0.79 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2RAB9AMEN1CYP3A4 | |
| Cyclohexylamine SCHEMBL7799041 | 0.77 | TDP1 (0.38) | ALDH1A1SMN1; SMN2HPGDRAB9AKMT2A | |
| Cyclohexylamine SCHEMBL7800093 | 0.76 | ALOX5 (0.35) | ALDH1A1KMT2AMAPT | |
| 2-Thiophenenecarboxaldehyde SCHEMBL8081424 | 0.75 | NR1I2 (0.50) | ALDH1A1SMN1; SMN2HCAR2HPGDRAB9A | |
| 4-Formylpyridine SCHEMBL8041443 | 0.75 | CYP19A1 (0.40) | ALDH1A1MEN1TSHRKMT2AMAPT | |
| Cyclohexylamine SCHEMBL7803065 | 0.75 | EPHX2 (0.39) | ALDH1A1SMN1; SMN2HPGDMEN1TSHR | |
| Cyclohexylamine SCHEMBL7802934 | 0.74 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2RAB9ACYP3A4CYP2D6 | |
| Salicyladehyde SCHEMBL7792796 | 0.74 | TRIM24 (0.50) | ALDH1A1SMN1; SMN2HPGDRAB9AMEN1 |
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 |