Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Benzaldehyde. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 SCHEMBL7799139 | 0.91 | SMYD3 (0.42) | ALDH1A1SLC6A2SLC6A4MEN1KMT2A | |
| Benzaldehyde SCHEMBL8035182 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP2A6TRPM8THRBKDM4E | |
| Cycloheptanamine SCHEMBL7792128 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP2A6TRPM8THRBKDM4E | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.88 | ALDH5A1 (0.47) | ALDH1A1TRPM8NPC1RAB9AMEN1 | |
| Cyclohexylamine SCHEMBL7800175 | 0.88 | PARP10 (0.44) | ALDH1A1MEN1KMT2A | |
| Cyclohexylamine SCHEMBL7802678 | 0.87 | CYP1A2 (0.42) | ALDH1A1TRPM8NPC1RAB9AMEN1 | |
| Cyclohexylamine SCHEMBL7792125 | 0.87 | CACNA1B (0.41) | ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2 | |
| 4-Formylpyridine SCHEMBL8041443 | 0.87 | CYP19A1 (0.40) | ALDH1A1KDM4EMEN1KMT2A | |
| Cyclohexylamine SCHEMBL7801490 | 0.87 | ALDH1A1 (0.54) | ALDH1A1RAB9AMEN1KMT2A | |
| 3-Hydroxybenzaldehyde SCHEMBL7798346 | 0.86 | POLB (0.41) | KDM4EMEN1KMT2A |
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 |