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Rifaximin

Rifaximin

SCHEMBL874028

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rpoArpoBrpoCrpoZ

The experimentally established mechanism targets of Rifaximin. 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
▸ ABCB11 O95342 5/20 1.00
▸ ABCC4 O15439 4/20 1.00
▸ ABCC2 Q92887 4/20 1.00
▸ MAPT P10636 4/20 1.00
▸ TBXA2R P21731 3/20 1.00
▸ GAA P10253 3/20 1.00
▸ MAPK1 P28482 3/20 1.00
▸ ABCC3 O15438 3/20 1.00
▸ NR1I2 O75469 2/20 1.00
▸ ADRB2 P07550 2/20 1.00
▸ ADRB1 P08588 2/20 1.00
▸ ADORA3 P0DMS8 2/20 1.00
▸ ADRA2B P18089 2/20 1.00
▸ ADRA2C P18825 2/20 1.00
▸ SLC6A2 P23975 2/20 1.00
▸ NPY1R P25929 2/20 1.00
▸ HTR2C P28335 2/20 1.00
▸ ADORA2A P29274 2/20 1.00
▸ BDKRB2 P30411 2/20 1.00
▸ AVPR2 P30518 2/20 1.00

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
Rifaximin SCHEMBL16351426 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL124066 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL16229249 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL14677545 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL13897021 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL23314507 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL9397878 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL17930616 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL124067 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R
Rifaximin SCHEMBL11956496 1.00 ABCB11 (1.00) ABCB11ABCC4ABCC2MAPTTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618819-A1 PHARMACEUTICAL FORMULATIONS CONTAINING RIFAXIMIN, PROCESSES FOR THEIR OBTAINMENT AND METHOD OF TREATING INTESTINAL DISEASE ALFA WASSERMANN S.p.A. (IT) 2013-07-31 — — EP disclosed
WO-2012038898-A1 PHARMACEUTICAL FORMULATIONS CONTAINING RIFAXIMIN, PROCESSES FOR THEIR OBTAINMENT AND METHOD OF TREATING INTESTINAL DISEASE ALFA WASSERMANN S.P.A. (IT) 2012-03-29 — — WO disclosed