Methane

Methane

SCHEMBL6557709

C.Cc1cccc2c1C([Zr+2]C1c3ccccc3-c3cccc(C)c31)c1ccccc1-2.[Cl-].[Cl-]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
GPR3 P46089 2/20 0.34
TNKS2 Q9H2K2 2/20 0.33
PBRM1 Q86U86 1/20 0.33
HTR2C P28335 3/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
HTR2A P28223 1/20 0.31

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
Hydrochloric Acid SCHEMBL5359299 0.98 HTR7 (0.36) HTR7HTR2BGPR3TNKS2PBRM1
Fluoride Ion SCHEMBL1131213 0.95 HTR7 (0.36) HTR7HTR2BGPR3TNKS2PBRM1
Hydrochloric Acid SCHEMBL7271193 0.81 HTR7 (0.30) HTR7HTR2B
Hydrochloric Acid SCHEMBL7604175 0.79 NPC1 (0.32) GPR3ALDH1A1TSHRHTR2A
Hydrochloric Acid SCHEMBL5347713 0.77 CA2 (0.35) GPR3ALDH1A1TSHR
SCHEMBL11783880 0.77 HTR2B (0.51) HTR7HTR2BGPR3TNKS2PBRM1
Hydrochloric Acid SCHEMBL7782713 0.77 HTR2C (0.30) HTR2C
Hydrochloric Acid SCHEMBL5347487 0.76 MYC (0.37) HTR7HTR2BGPR3TNKS2PBRM1
Ethane SCHEMBL8163438 0.76 GPR3 (0.44) GPR3LMNAMEN1KMT2AATM
Hydrochloric Acid SCHEMBL618216 0.76 GPR3 (0.42) GPR3MEN1KMT2AATMTSHR

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
EP-0705851-B9 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-08-11 EP disclosed
EP-0705851-B1 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-01-21 EP disclosed
US-5710224-A CATALYTIC POLYMERIZATION OF ETHYLENE USING FLUORENE INDENYL ETHANE ZIRCONIUM DICHLORIDE WITH METALLOCENE PHILLIPS PETROLEUM COMPANY (US) 1998-01-20 US disclosed
US-5594078-A BRIDGED FLUORENYL METALLOCENE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-01-14 US disclosed
EP-0729978-A1 Polyethylene and method for production thereof PHILLIPS PETROLEUM COMPANY (US) 1996-09-04 EP disclosed
US-5534473-A METALLOCENES AND COCATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-07-09 US disclosed
EP-0705851-A2 Catalyst systems and process for producing broad molecular weight distribution polyolefin PHILLIPS PETROLEUM COMPANY (US) 1996-04-10 EP disclosed