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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 5/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | JUN | P05412 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7798524 | 0.93 | POLB (0.56) | POLBGFERTDP1JUNMAPT | |
| Lysine SCHEMBL8025614 | 0.86 | GRM8 (0.48) | POLBGFERTDP1JUNMAPT | |
| Cyclohexylamine SCHEMBL7797990 | 0.83 | GAA (0.48) | POLBGFERMAPTSMN1; SMN2EGFR | |
| SCHEMBL29672623 | 0.80 | EGFR (0.66) | POLBGFERTDP1JUNMAPT | |
| SCHEMBL374530 | 0.80 | EGFR (0.66) | POLBGFERTDP1JUNMAPT | |
| SCHEMBL344482 | 0.80 | EGFR (0.66) | POLBGFERTDP1JUNMAPT | |
| Methyl Alcohol SCHEMBL29087051 | 0.78 | EGFR (0.64) | POLBGFERTDP1JUNMAPT | |
| Cyclohexylamine SCHEMBL7798582 | 0.78 | ALDH5A1 (0.46) | POLBTDP1MAPTXDHMEN1 | |
| Cyclohexylamine SCHEMBL7801777 | 0.77 | VCAM1 (0.58) | POLBMAPTSMN1; SMN2MEN1KMT2A | |
| Cyclohexylamine SCHEMBL7798500 | 0.77 | MEN1 (0.41) | POLBSMN1; SMN2EGFRMEN1KMT2A |
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 |