Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Isovanillin. 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 | 2/20 | 0.48 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Isovanillin SCHEMBL8041270 | 1.00 | ALDH1A1 (0.48) | ALDH1A1AOX1KMT2AGSRTRIM24 | |
| Lysine SCHEMBL8039183 | 0.90 | GSR (0.39) | ALDH1A1AOX1KMT2AGSRHPGD | |
| Lysine SCHEMBL8041481 | 0.90 | GSR (0.39) | ALDH1A1AOX1KMT2AGSRHPGD | |
| Lysine SCHEMBL8039180 | 0.90 | GSR (0.39) | ALDH1A1AOX1KMT2AGSRHPGD | |
| Lysine SCHEMBL8041480 | 0.90 | GSR (0.39) | ALDH1A1AOX1KMT2AGSRHPGD | |
| Isovanillin SCHEMBL8035679 | 0.89 | ALDH1A1 (0.53) | ALDH1A1AOX1KMT2ATRIM24HPGD | |
| Isovanillin SCHEMBL8035673 | 0.89 | ALDH1A1 (0.53) | ALDH1A1AOX1KMT2ATRIM24HPGD | |
| Isovanillin SCHEMBL7801472 | 0.85 | ALDH1A1 (0.58) | ALDH1A1AOX1KMT2ATRIM24HPGD | |
| Lysine SCHEMBL8041461 | 0.84 | KDM4E (0.40) | ALDH1A1KMT2AGSRHPGDMAPT | |
| Lysine SCHEMBL8035316 | 0.84 | GSR (0.46) | GSRALDH5A1ABATCPB2 |
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 |