Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Nicotinaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| Nicotinaldehyde SCHEMBL8213880 | 0.86 | TBXAS1 (0.50) | ALDH1A1TBXAS1KDM4EMAPTNPC1 | |
| Benzaldehyde SCHEMBL7798223 | 0.85 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| 4-Formylpyridine SCHEMBL8041443 | 0.84 | CYP19A1 (0.40) | ALDH1A1NPSR1KDM4EMAPTMAPK1 | |
| 3-Hydroxybenzaldehyde SCHEMBL7798346 | 0.78 | POLB (0.41) | KDM4EPOLB | |
| Cyclohexylamine SCHEMBL7799139 | 0.77 | SMYD3 (0.42) | ALDH1A1 | |
| Cyclohexylamine SCHEMBL7798152 | 0.77 | ALDH1A1 (0.51) | ALDH1A1POLB | |
| Cyclohexylamine SCHEMBL7792713 | 0.77 | TP53 (0.44) | SMN1; SMN2NPC1RAB9A | |
| 3-Formylbenzoic Acid SCHEMBL7800848 | 0.77 | UNG (0.59) | — | |
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.77 | ALDH5A1 (0.47) | ALDH1A1NPC1RAB9A | |
| Nicotinaldehyde SCHEMBL28290769 | 0.77 | MAPT (0.56) | ALDH1A1SMN1; SMN2TBXAS1KDM4EMAPT |
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 |