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 | 7/20 | 0.42 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 SCHEMBL7792109 | 0.90 | ALDH1A1 (0.50) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Cyclohexylamine SCHEMBL8025661 | 0.89 | GRIK1 (0.40) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Cyclohexylamine SCHEMBL8025659 | 0.89 | GRIK1 (0.40) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Isovanillin SCHEMBL7801472 | 0.88 | ALDH1A1 (0.58) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Glycine SCHEMBL8218503 | 0.88 | ALDH1A1 (0.53) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7800101 | 0.87 | ALDH1A1 (0.42) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Lysine SCHEMBL8041480 | 0.85 | GSR (0.39) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Lysine SCHEMBL8041481 | 0.85 | GSR (0.39) | ALDH1A1AOX1KDM4ETSHRSMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7802316 | 0.80 | CYP2C9 (0.36) | MEN1KMT2AGAANPC1CYP2C9 | |
| Cyclohexylamine SCHEMBL7798500 | 0.79 | MEN1 (0.41) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 |
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 |