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 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | UNG | P13051 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 SCHEMBL7802525 | 0.93 | ALDH1A1 (0.63) | ALDH1A1NPSR1KMT2ASRD5A2STS | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.87 | ALDH5A1 (0.47) | ALDH1A1KMT2ARAB9AEPHX1MEN1 | |
| Benzaldehyde SCHEMBL7798223 | 0.87 | ALDH1A1 (0.44) | ALDH1A1KMT2ARAB9AMEN1 | |
| Cyclohexylamine SCHEMBL7792125 | 0.86 | CACNA1B (0.41) | ALDH1A1KMT2ARAB9AMAPT | |
| Cyclohexylamine SCHEMBL7802678 | 0.86 | CYP1A2 (0.42) | ALDH1A1KMT2ARAB9AEPHX1MEN1 | |
| Cyclohexylamine SCHEMBL8037416 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPSR1KMT2ASRD5A2STS | |
| Cyclohexylamine SCHEMBL8037421 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPSR1KMT2ASRD5A2STS | |
| Cyclohexylamine SCHEMBL7799139 | 0.84 | SMYD3 (0.42) | ALDH1A1KMT2AEPHX1MEN1 | |
| 3-Formylbenzoic Acid SCHEMBL7800848 | 0.84 | UNG (0.59) | STSTRIM24TRIM33EPHX1UNG | |
| 4-Formylpyridine SCHEMBL8041443 | 0.83 | CYP19A1 (0.40) | ALDH1A1NPSR1KMT2AMAPTEPHX1 |
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 |