Methane

Methane

SCHEMBL6559495

C.COc1ccc2c(c1)C([Zr+2](C1=CC=CC1)(c1ccccc1)c1ccccc1)c1cc(OC)ccc1-2.[Cl-].[Cl-]

nearest known ligand 0.34

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.34
SLC6A3 known ✓ Q01959 2/20 0.34
ACHE known ✓ P22303 1/20 0.31
SLC6A4 P31645 2/20 0.34
MAOB P27338 4/20 0.32
CYP19A1 P11511 2/20 0.32
KDM1A O60341 2/20 0.32
MAOA P21397 2/20 0.32
SYK P43405 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP4B1 P13584 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP3A5 P20815 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
Methane SCHEMBL6558670 0.83 HTR2C (0.30)
Methane SCHEMBL6557742 0.83 CHRM2 (0.32) SLC6A2SLC6A4SLC6A3HTR2A
Methane SCHEMBL6065039 0.82
Methane SCHEMBL6557584 0.81 NPC1 (0.32) NPC1ALDH1A1RAB9A
Methane SCHEMBL5336355 0.75 NPC1 (0.33) CYP19A1NPC1ALDH1A1RAB9A
Methane SCHEMBL7606645 0.69 KDM1A (0.30) SLC6A4KDM1A
Methane SCHEMBL6557636 0.68 HTR2C (0.32)
Methane SCHEMBL7940147 0.67
Hydrochloric Acid SCHEMBL9229867 0.67 CYP19A1 (0.32) SLC6A2SLC6A4SLC6A3MAOBCYP19A1
Hydrochloric Acid SCHEMBL7193187 0.66 GAA (0.35) CYP19A1SYKCYP3A4CYP1A1CYP1A2

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