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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MASP2 | O00187 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
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 SCHEMBL7801667 | 0.89 | ALDH1A1 (0.62) | ALDH1A1POLBTDP1L3MBTL1HCAR2 | |
| Cyclohexylamine SCHEMBL8039236 | 0.86 | ALDH1A1 (0.43) | ALDH1A1POLBTSHRCYP2C19TDP1 | |
| Furfural SCHEMBL8216438 | 0.85 | ALDH1A1 (0.67) | ALDH1A1POLBTSHRCYP2C19TDP1 | |
| Lysine SCHEMBL8035898 | 0.81 | GSR (0.43) | ALDH1A1POLBTDP1L3MBTL1MAPT | |
| Benzaldehyde SCHEMBL7798223 | 0.79 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MEN1KMT2ARAB9A | |
| Cyclohexylamine SCHEMBL7798067 | 0.77 | L3MBTL1 (0.41) | ALDH1A1POLBTSHRCYP2C19TDP1 | |
| Aes-103 SCHEMBL8041166 | 0.76 | ALDH1A1 (0.56) | ALDH1A1POLBTSHRTDP1L3MBTL1 | |
| Furfural SCHEMBL15537255 | 0.76 | ALDH1A1 (0.67) | ALDH1A1POLBTSHRCYP2C19TDP1 | |
| Cyclohexylamine SCHEMBL7801468 | 0.76 | HCAR2 (0.39) | ALDH1A1POLBTDP1HCAR2MAPT | |
| Cyclohexylamine SCHEMBL7801490 | 0.75 | ALDH1A1 (0.54) | ALDH1A1MAPTMEN1KMT2AHPGD |
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 |