Pyridine

Pyridine

SCHEMBL28075136

O=C(O)O.[MgH2].c1ccncc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Pyridine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 4/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 2/20 0.42
PLOD2 O00469 2/20 0.42
PLOD3 O60568 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLOD1 Q02809 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 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.

Compoundsimilaritytop predictedshared targets
Pyridine SCHEMBL910099 0.96 NAPRT (0.69) NAPRTTSHRTDP1ALDH1A1PLOD2
Pyridine SCHEMBL5278800 0.96 NAPRT (0.69) NAPRTTSHRTDP1ALDH1A1PLOD2
Pyridine SCHEMBL5875149 0.96 NAPRT (0.69) NAPRTTSHRTDP1ALDH1A1PLOD2
Pyridine SCHEMBL27638908 0.93 NAPRT (0.64) NAPRTTSHRTDP1ALDH1A1PLOD2
Pyridine SCHEMBL28167155 0.93 NAPRT (0.64) NAPRTTSHRTDP1ALDH1A1PLOD2
Pyridine SCHEMBL11080572 0.93 NAPRT (0.64) NAPRTTSHRTDP1ALDH1A1PLOD2
Pyridine SCHEMBL5268186 0.87 NAPRT (0.56) NAPRTTSHRTDP1ALDH1A1PLOD2
Pyridine SCHEMBL27941370 0.87 NAPRT (0.56) NAPRTTSHRTDP1ALDH1A1PLOD2
Oxalic Acid SCHEMBL5874777 0.86 NAPRT (0.64) NAPRTTSHRTDP1ALDH1A1PLOD2
Oxalic Acid SCHEMBL4224676 0.86 NAPRT (0.64) NAPRTTSHRTDP1ALDH1A1PLOD2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103755558-B The manufacture method of (methyl) acrylate 三菱丽阳株式会社 2016-06-22 CN disclosed