Methane

Methane

SCHEMBL28516008

C.Oc1ccc(C(F)(F)F)nc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.56
DEGS1 O15121 1/20 0.41
PIK3CA P42336 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KIF11 P52732 1/20 0.37
HDAC4 P56524 1/20 0.36
MAP4K4 O95819 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
DAO P14920 2/20 0.36
USP7 Q93009 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL227613 0.98 TRPV4 (0.58) TRPV4DEGS1PIK3CAPI4KBPIK3CD
SCHEMBL29918406 0.98 TRPV4 (0.58) TRPV4DEGS1PIK3CAPI4KBPIK3CD
SCHEMBL25212518 0.83 TRPV4 (0.44) TRPV4PIK3CAPI4KBMAP4K4KCNH2
SCHEMBL322603 0.81 KIF11 (0.52) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL30536021 0.81 KIF11 (0.52) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL21327619 0.78 MRGPRX4 (0.40) TRPV4MRGPRX4DAO
SCHEMBL1511379 0.77 TRPV4 (0.36) TRPV4DEGS1
SCHEMBL21377437 0.76 CSF1R (0.53) DEGS1HDAC4KCNH2
SCHEMBL1474089 0.74 LMNA (0.42) DEGS1CYP2C9
SCHEMBL29484952 0.74 LMNA (0.42) DEGS1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530396-A Modified acrylic emulsion and application thereof 中山市新谷新材料有限公司 2024-08-23 CN claimed
CN-117088878-A High-activity Wnt pathway inhibitor compound 杭州阿诺生物医药科技有限公司 2023-11-21 CN claimed
CN-117088876-A High-activity Wnt pathway inhibitor compound 杭州阿诺生物医药科技有限公司 2023-11-21 CN claimed
CN-118530396-A Modified acrylic emulsion and application thereof 中山市新谷新材料有限公司 2024-08-23 CN disclosed
CN-117088878-A High-activity Wnt pathway inhibitor compound 杭州阿诺生物医药科技有限公司 2023-11-21 CN disclosed
CN-117088876-A High-activity Wnt pathway inhibitor compound 杭州阿诺生物医药科技有限公司 2023-11-21 CN disclosed
CN-112194616-A Microwave synthesis method of 6-trifluoromethyl pyridine formaldehyde 复旦大学 2021-01-08 CN disclosed