Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of 3-Nitrobenzaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | GRM8 | O00222 | 5/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 5/20 | 0.42 |
| ▸ | GRM6 | O15303 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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-Nitrobenzaldehyde SCHEMBL8035793 | 1.00 | KMO (0.43) | KMOGRM8GRM4GRM6THRB | |
| Lysine SCHEMBL7803085 | 0.89 | MMP2 (0.43) | GRM8GRM4GRM6EPHX1ALDH1A1 | |
| Lysine SCHEMBL7803083 | 0.89 | MMP2 (0.43) | GRM8GRM4GRM6EPHX1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL8039156 | 0.89 | KMO (0.46) | KMOGRM8GRM4GRM6THRB | |
| 3-Nitrobenzaldehyde SCHEMBL8039154 | 0.89 | KMO (0.46) | KMOGRM8GRM4GRM6THRB | |
| Lysine SCHEMBL8025522 | 0.86 | MMP2 (0.41) | GRM8GRM4GRM6EPHX1ALDH1A1 | |
| Lysine SCHEMBL8039332 | 0.86 | MMP2 (0.41) | GRM8GRM4GRM6EPHX1ALDH1A1 | |
| Lysine SCHEMBL8039122 | 0.86 | GSR (0.48) | GSRPOLB | |
| Lysine SCHEMBL7803175 | 0.85 | MMP2 (0.39) | KMOGRM8GRM4GRM6EPHX1 | |
| Lysine SCHEMBL8037280 | 0.85 | GSR (0.43) | GSRPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |