Vanillin

Vanillin

SCHEMBL28367299

COc1cc(C=O)ccc1O.Nc1nc2ccccc2[nH]1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ TRIM24 O15164 1/20 0.58
▸ ALDH5A1 P51649 1/20 0.58
▸ ABAT P80404 1/20 0.58
▸ TRIM33 Q9UPN9 1/20 0.58
▸ MAPT P10636 10/20 0.57
▸ POLB P06746 7/20 0.57
▸ GAA P10253 5/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ GFER P55789 2/20 0.57
▸ KMT2A Q03164 9/20 0.56
▸ MEN1 O00255 8/20 0.56
▸ USP2 O75604 4/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 4/20 0.52
▸ HTT P42858 3/20 0.52

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.

Compoundsimilaritytop predictedshared targets
Curcumin SCHEMBL12988139 0.85 APP (0.64) ALDH1A1TDP1HPGDMAPTPOLB
Vanillin SCHEMBL29000270 0.77 ALDH1A1 (0.86) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL8723393 0.76 ALDH1A1 (0.93) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL27845333 0.76 ALDH1A1 (0.93) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL720723 0.76 ALDH1A1 (1.00) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL29354839 0.76 ALDH1A1 (1.00) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL1213 0.76 ALDH1A1 (1.00) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL19695933 0.76 KMT2A (0.65) ALDH1A1TDP1HPGDMAPTPOLB
Vanillin SCHEMBL8320727 0.75 ALDH1A1 (0.83) ALDH1A1TDP1HPGDTRIM24ALDH5A1
Vanillin SCHEMBL6207701 0.75 ALDH1A1 (0.83) ALDH1A1TDP1HPGDTRIM24ALDH5A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110763741-B Manganese complex, modified electrode, and preparation method and application thereof 河北科技大学 2022-03-01 — — CN claimed
CN-110763741-A Manganese complex, modified electrode, and preparation method and application thereof 河北科技大学 2020-02-07 — — CN claimed
CN-110763741-B Manganese complex, modified electrode, and preparation method and application thereof 河北科技大学 2022-03-01 — — CN disclosed
CN-110763741-B Manganese complex, modified electrode, and preparation method and application thereof 河北科技大学 2022-03-01 — — CN disclosed
CN-110763741-A Manganese complex, modified electrode, and preparation method and application thereof 河北科技大学 2020-02-07 — — CN disclosed
CN-110763741-A Manganese complex, modified electrode, and preparation method and application thereof 河北科技大学 2020-02-07 — — CN disclosed
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