Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of 2-Methoxybenzaldehyde. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TFEB | P19484 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
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-Methoxybenzaldehyde SCHEMBL8035615 | 0.87 | PTGDR2 (0.58) | ALDH1A1MAPTHPGDPTGDR2NFE2L2 | |
| Cyclohexylamine SCHEMBL7798272 | 0.86 | CAPN1 (0.40) | ALDH1A1MAPTHPGDALOX12TRPM8 | |
| Salicyladehyde SCHEMBL7792796 | 0.82 | TRIM24 (0.50) | ALDH1A1HPGDPTGDR2SRCNFE2L2 | |
| Cyclohexylamine SCHEMBL7801529 | 0.81 | NPC1 (0.44) | ALDH1A1MAPTHPGDPTGDR2SRC | |
| Cyclohexylamine SCHEMBL7802530 | 0.81 | MAPT (0.37) | ALDH1A1MAPTHPGDPTGDR2SRC | |
| Cyclohexylamine SCHEMBL7802630 | 0.79 | PPARG (0.44) | ALDH1A1HPGDMEN1KMT2AKDM4E | |
| Benzaldehyde SCHEMBL7798223 | 0.78 | ALDH1A1 (0.44) | ALDH1A1PTGDR2TRPM8SMN1; SMN2NPC1 | |
| Cyclohexylamine SCHEMBL7798069 | 0.78 | F2R (0.38) | ALDH1A1PTGDR2SRCTRPM8MEN1 | |
| Isovanillin SCHEMBL7801472 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDSMN1; SMN2KMT2A | |
| Cyclohexylamine SCHEMBL7798563 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HPGDPTGDR2SMN1; SMN2NPC1 |
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 2 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 |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |