Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Cuminaldehyde. 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 | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Cuminaldehyde SCHEMBL7801634 | 0.89 | TYR (0.63) | TYRLMNARAB9ANPC1SMN1; SMN2 | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.83 | ALDH5A1 (0.47) | TYRRAB9ANPC1ALDH1A1EPHX1 | |
| Benzaldehyde SCHEMBL7798223 | 0.83 | ALDH1A1 (0.44) | RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E | |
| Cuminaldehyde SCHEMBL8025615 | 0.83 | GSR (0.43) | TYRLMNARAB9ANPC1SMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7801490 | 0.82 | ALDH1A1 (0.54) | RAB9AALDH1A1EPHX1MAPTHPGD | |
| Cyclohexylamine SCHEMBL7792125 | 0.82 | CACNA1B (0.41) | LMNARAB9ANPC1SMN1; SMN2POLB | |
| Cyclohexylamine SCHEMBL7802678 | 0.82 | CYP1A2 (0.42) | RAB9ANPC1ALDH1A1EPHX1KMT2A | |
| Cyclohexylamine SCHEMBL7802131 | 0.82 | ALDH1A1 (0.50) | LMNARAB9ANPC1SMN1; SMN2ALDH1A1 | |
| Cyclohexylamine SCHEMBL8025672 | 0.82 | CYP2A6 (0.50) | ALDH1A1KDM4EEPHX1MAPTGAA | |
| Cyclohexylamine SCHEMBL7799139 | 0.81 | SMYD3 (0.42) | ALDH1A1EPHX1TP53KMT2AMEN1 |
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 |