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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | GFER | P55789 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Glycine SCHEMBL8218338 | 0.88 | GAA (0.59) | GAAKDM4EALDH1A1GFERKMT2A | |
| Lysine SCHEMBL8041461 | 0.84 | KDM4E (0.40) | GAAKDM4EALDH1A1GFERKMT2A | |
| Cyclohexylamine SCHEMBL7798783 | 0.83 | POLB (0.49) | GAAKDM4EALDH1A1GFERKMT2A | |
| Cyclohexylamine SCHEMBL7798500 | 0.80 | MEN1 (0.41) | KDM4EALDH1A1KMT2AMEN1EGFR | |
| Isovanillin SCHEMBL7801472 | 0.80 | ALDH1A1 (0.58) | GAAKDM4EALDH1A1KMT2AMAPT | |
| Cyclohexylamine SCHEMBL7802316 | 0.78 | CYP2C9 (0.36) | GAAKMT2AMEN1MAPTSIRT1 | |
| SCHEMBL565133 | 0.78 | GAA (0.64) | GAAKDM4EALDH1A1GFERKMT2A | |
| SCHEMBL29361178 | 0.78 | GAA (0.64) | GAAKDM4EALDH1A1GFERKMT2A | |
| Cyclohexylamine SCHEMBL7798563 | 0.77 | ALDH1A1 (0.42) | GAAKDM4EALDH1A1KMT2AMEN1 | |
| 2-(Aminomethyl)Phenol SCHEMBL8035737 | 0.77 | GAA (0.47) | GAAKDM4EALDH1A1GFERKMT2A |
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 2 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 |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |