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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
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 SCHEMBL7800228 | 0.89 | TP53 (0.45) | TP53ATMHTTMAOAMAOB | |
| Cyclohexylamine SCHEMBL8041254 | 0.88 | TP53 (0.41) | TP53ATMHTTMAOAMAOB | |
| Cyclohexylamine SCHEMBL8041252 | 0.88 | TP53 (0.41) | TP53ATMHTTMAOAMAOB | |
| 3-Hydroxybenzaldehyde SCHEMBL7798346 | 0.86 | POLB (0.41) | MAOAMAOBUNGMEN1GAA | |
| Benzaldehyde SCHEMBL7798223 | 0.85 | ALDH1A1 (0.44) | TP53NPC1RAB9AMEN1KMT2A | |
| 3-Formylbenzoic Acid SCHEMBL7800848 | 0.85 | UNG (0.59) | MAOAMAOBUNG | |
| Cyclohexylamine SCHEMBL7798152 | 0.85 | ALDH1A1 (0.51) | MAOAMAOBUNGMEN1KMT2A | |
| Cyclohexylamine SCHEMBL8035100 | 0.84 | POLB (0.42) | MAOBRAB9APTGDR2 | |
| Cyclohexylamine SCHEMBL7792125 | 0.84 | CACNA1B (0.41) | NPC1RAB9AKMT2ASMN1; SMN2PTGDR2 | |
| Lysine SCHEMBL8039357 | 0.83 | CTSB (0.42) | TP53ATMHTT |
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 |