Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of 3-Hydroxybenzaldehyde. 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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 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-Hydroxybenzaldehyde SCHEMBL7798283 | 0.90 | CCNB2 (0.45) | POLBUNGCCNB2CDK1CDK4 | |
| 3-Hydroxybenzaldehyde SCHEMBL8039117 | 0.88 | KYNU (0.40) | POLBUNGCCNB2CDK1CDK4 | |
| 3-Hydroxybenzaldehyde SCHEMBL8039109 | 0.88 | KYNU (0.40) | POLBUNGCCNB2CDK1CDK4 | |
| Benzaldehyde SCHEMBL7798223 | 0.86 | ALDH1A1 (0.44) | MEN1KMT2AKDM4E | |
| 3-Hydroxybenzaldehyde SCHEMBL8212584 | 0.86 | UNG (0.50) | UNGCCNB2CDK1CDK4CCNB1 | |
| 3-Formylbenzoic Acid SCHEMBL7800848 | 0.86 | UNG (0.59) | UNGSTSMAOAMAOB | |
| Cyclohexylamine SCHEMBL7798152 | 0.86 | ALDH1A1 (0.51) | POLBUNGMEN1KMT2ATDP1 | |
| Cyclohexylamine SCHEMBL7792713 | 0.86 | TP53 (0.44) | UNGGAAMEN1KMT2AMAOA | |
| Cyclohexylamine SCHEMBL7800890 | 0.85 | EPOR (0.47) | POLBMEN1KMT2AMAOAMAOB | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.83 | ALDH5A1 (0.47) | GAAMEN1KMT2AMAOBCA12 |
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 |