Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of 2-Pyridinecarboxaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| 2-Pyridinecarboxaldehyde SCHEMBL8212803 | 0.86 | MEN1 (0.47) | HPGDALDH1A1SMN1; SMN2LMNAKDM4E | |
| Benzaldehyde SCHEMBL7798223 | 0.80 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TRPM8KDM4EMEN1 | |
| Cyclohexylamine SCHEMBL8039390 | 0.80 | TSHR (0.36) | HPGDALDH1A1SMN1; SMN2KDM4EPKM | |
| Cyclohexylamine SCHEMBL7798429 | 0.79 | KDM4E (0.44) | ALDH1A1SMN1; SMN2CYP1A2GAALMNA | |
| Cyclohexylamine SCHEMBL7802530 | 0.77 | MAPT (0.37) | HPGDALDH1A1SMN1; SMN2CYP1A2LMNA | |
| 4-Formylpyridine SCHEMBL8041443 | 0.77 | CYP19A1 (0.40) | ALDH1A1GAAKDM4EHSD17B10TSHR | |
| Cyclohexylamine SCHEMBL7803111 | 0.77 | CAMKK1 (0.39) | HPGDALDH1A1SMN1; SMN2CYP1A2GAA | |
| Salicyladehyde SCHEMBL7792796 | 0.76 | TRIM24 (0.50) | HPGDALDH1A1SMN1; SMN2LMNAKDM4E | |
| Cyclohexylamine SCHEMBL7799139 | 0.76 | SMYD3 (0.42) | ALDH1A1MEN1KMT2A | |
| Nicotinaldehyde SCHEMBL8037599 | 0.75 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KDM4EMAPTNPSR1 |
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 |