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Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL5336355

C.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2[Zr+2](C1=CC=CC1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.33

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 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32

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 SCHEMBL6557584 0.92 NPC1 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Methane SCHEMBL6065039 0.83 — —
Hydrochloric Acid SCHEMBL400764 0.77 ASIC1 (0.31) —
Methane SCHEMBL6558670 0.77 HTR2C (0.30) —
Methane SCHEMBL6557742 0.77 CHRM2 (0.32) —
Methane SCHEMBL6559495 0.75 SLC6A2 (0.34) NPC1ALDH1A1RAB9ACYP19A1
Methane SCHEMBL7606645 0.74 KDM1A (0.30) —
Methane SCHEMBL6559818 0.72 — —
Hydrochloric Acid SCHEMBL18240544 0.70 KIF11 (0.32) —
SCHEMBL5006653 0.68 NPC1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7193025-B2 Metallocene polypropylene for rotomoulding TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-03-20 — — US disclosed
EP-1513885-B1 METALLOCENE POLYPROPYLENE FOR ROTOMOULDING TOTAL PETROCHEMICALS RES FELUY (BE) 2006-10-04 — — EP disclosed
US-20050288472-A1 Metallocene polypropylene for rotomoulding TOTAL PETROCHEMICAL RESEARCH FELUY (BE) 2005-12-29 — — US disclosed