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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 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 SCHEMBL7798159 | 0.89 | MAOB (0.44) | NPC1RAB9AEPHX1KDM1AALDH1A1 | |
| Cyclohexylamine SCHEMBL8035887 | 0.87 | GRIK1 (0.45) | NPC1RAB9APTGDR2EPHX1KDM1A | |
| Cyclohexylamine SCHEMBL8035890 | 0.87 | GRIK1 (0.45) | NPC1RAB9APTGDR2EPHX1KDM1A | |
| Glycine SCHEMBL8212893 | 0.86 | EGFR (0.46) | ALDH1A1KDM4EPKMKMT2AATM | |
| Cyclohexylamine SCHEMBL7798074 | 0.85 | TSHR (0.46) | PTGDR2EPHX1TRPM8KMT2ATSHR | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.83 | ALDH5A1 (0.47) | NPC1RAB9AEPHX1ALDH1A1TRPM8 | |
| Benzaldehyde SCHEMBL7798223 | 0.83 | ALDH1A1 (0.44) | NPC1RAB9APTGDR2ALDH1A1KDM4E | |
| Cyclohexylamine SCHEMBL7801490 | 0.82 | ALDH1A1 (0.54) | RAB9AEPHX1ALDH1A1KMT2AMAPT | |
| Cyclohexylamine SCHEMBL7802678 | 0.82 | CYP1A2 (0.42) | NPC1RAB9APTGDR2EPHX1ALDH1A1 | |
| Cyclohexylamine SCHEMBL7792125 | 0.82 | CACNA1B (0.41) | NPC1RAB9APTGDR2ALDH1A1KMT2A |
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 |