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 | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.33 |
| ▸ | RBBP9 | O75884 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GCK | P35557 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 SCHEMBL7792728 | 0.89 | TSHR (0.37) | EPHX2TRPM8POLBTSHRMEN1 | |
| Cyclohexylamine SCHEMBL7798596 | 0.75 | ALDH1A1 (0.39) | POLBTSHRMEN1KMT2AALDH1A1 | |
| 4-Formylpyridine SCHEMBL8041443 | 0.74 | CYP19A1 (0.40) | POLBTSHRMEN1KMT2AKDM4E | |
| 2-Pyridinecarboxaldehyde SCHEMBL8039124 | 0.74 | HPGD (0.40) | TRPM8TSHRMEN1KMT2AKDM4E | |
| Cyclohexylamine SCHEMBL7798665 | 0.74 | TLK2 (0.36) | — | |
| Cyclohexylamine SCHEMBL27975474 | 0.72 | GLRA1 (0.50) | TSHRALDH1A1SMN1; SMN2USP2LMNA | |
| Cyclohexylamine SCHEMBL7800093 | 0.72 | ALOX5 (0.35) | KMT2AALDH1A1MAPT | |
| Benzaldehyde SCHEMBL7798223 | 0.72 | ALDH1A1 (0.44) | EPHX2TRPM8MEN1KMT2AKDM4E | |
| SCHEMBL28811 | 0.71 | — | — | |
| Nicotinaldehyde SCHEMBL8037599 | 0.70 | ALDH1A1 (0.45) | POLBKDM4EALDH1A1SMN1; SMN2MAPT |
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 |