Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.65 |
| ▸ | ERN1 | O75460 | 2/20 | 0.59 |
| ▸ | TLR2 | O60603 | 1/20 | 0.59 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.59 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.53 |
| ▸ | TFEB | P19484 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.49 |
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 SCHEMBL8078968 | 1.00 | SRC (0.65) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL8469378 | 0.90 | ALDH1A1 (0.66) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL29358929 | 0.90 | ALDH1A1 (0.66) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL66490 | 0.90 | ALDH1A1 (0.66) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL28193905 | 0.88 | LMNA (0.63) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL27949860 | 0.88 | ALDH1A1 (0.63) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL28639538 | 0.88 | ALDH1A1 (0.63) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL27337621 | 0.88 | ALDH1A1 (0.63) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL28954369 | 0.88 | ALDH1A1 (0.63) | SRCERN1TLR2TLR1TLR6 | |
| 2-Methoxybenzaldehyde SCHEMBL28257560 | 0.88 | ALDH1A1 (0.63) | SRCERN1TLR2TLR1TLR6 |
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-6140398-A | Salicylic acid diphosphates for use as flame retardant materials | RHODIA INC. (US) | 2000-10-31 | — | — | US | disclosed |