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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | METAP2 | P50579 | 5/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
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 SCHEMBL7799976 | 0.97 | TDP1 (0.43) | TDP1MEN1KMT2AMETAP2HDAC8 | |
| Cyclohexylamine SCHEMBL7799978 | 0.97 | TDP1 (0.43) | TDP1MEN1KMT2AMETAP2HDAC8 | |
| Cyclohexylamine SCHEMBL7798821 | 0.96 | TDP1 (0.43) | TDP1MEN1KMT2AMETAP2HDAC8 | |
| Ornithine SCHEMBL7798162 | 0.94 | TDP1 (0.39) | TDP1MEN1KMT2AMETAP2METAP1 | |
| Lysine SCHEMBL8035800 | 0.93 | GSR (0.39) | TDP1MEN1KMT2AMETAP2METAP1 | |
| Lysine SCHEMBL7793039 | 0.93 | GSR (0.39) | TDP1MEN1KMT2AMETAP2METAP1 | |
| Ornithine SCHEMBL7792531 | 0.91 | TDP1 (0.42) | TDP1MEN1KMT2AMETAP2METAP1 | |
| Ornithine Aketoglutarate SCHEMBL7792533 | 0.91 | TDP1 (0.42) | TDP1MEN1KMT2AMETAP2METAP1 | |
| Phenylacetic Acid SCHEMBL7801858 | 0.91 | LMNA (0.39) | TDP1MEN1KMT2AHDAC8PTGDR | |
| Phenylacetic Acid SCHEMBL7801855 | 0.91 | LMNA (0.39) | TDP1MEN1KMT2AHDAC8PTGDR |
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 |