Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of 3-Formylbenzoic Acid. 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 | |
|---|---|---|---|---|
| ▸ | UNG | P13051 | 2/20 | 0.59 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 3/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.43 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.43 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | PPM1D | O15297 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| 3-Formylbenzoic Acid SCHEMBL7798025 | 0.93 | UNG (0.68) | UNGKMOSTSTRIM24TRIM33 | |
| 3-Formylbenzoic Acid SCHEMBL8035782 | 0.88 | UNG (0.54) | UNGKMOSTSTRIM24TRIM33 | |
| 3-Formylbenzoic Acid SCHEMBL8035774 | 0.88 | UNG (0.54) | UNGKMOSTSTRIM24TRIM33 | |
| 3-Hydroxybenzaldehyde SCHEMBL7798346 | 0.86 | POLB (0.41) | UNGSTSMAOAMAOB | |
| Benzaldehyde SCHEMBL7798223 | 0.85 | ALDH1A1 (0.44) | CYP2D6 | |
| Cyclohexylamine SCHEMBL7798152 | 0.85 | ALDH1A1 (0.51) | UNGMAOAMAOB | |
| Cyclohexylamine SCHEMBL7792713 | 0.85 | TP53 (0.44) | UNGMAOAMAOB | |
| Cyclohexylamine SCHEMBL7801490 | 0.84 | ALDH1A1 (0.54) | UNGSTSTRIM24TRIM33EPHX1 | |
| 3-Formylbenzoic Acid SCHEMBL8039147 | 0.83 | UNG (0.48) | UNGKMOSTSTRIM24TRIM33 | |
| 3-Formylbenzoic Acid SCHEMBL8039145 | 0.83 | UNG (0.48) | UNGKMOSTSTRIM24TRIM33 |
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 |