Sugi Predict

Sugi Predict / Compounds / Ipratropium

Ipratropium

Ipratropium

SCHEMBL4632130

CC(=O)Oc1ccccc1C(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.Cn1c(=O)c2[nH]cnc2n(C)c1=O.N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Br-].[Na+]

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM3

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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 known ✓ P20309 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
Dextrothyroxine SCHEMBL4633728 0.78 THRB (0.45) MEN1KMT2ASMN1; SMN2TSHR
Ipratropium SCHEMBL4231044 0.72 CHRM2 (0.63) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL2166848 0.72 CHRM2 (0.63) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL28250222 0.72 CHRM2 (0.65) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL28223580 0.72 CHRM2 (0.64) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL2169666 0.72 CHRM2 (0.64) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL28250221 0.71 CHRM2 (0.63) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL29400593 0.70 CHRM2 (0.60) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL2167530 0.70 CHRM2 (0.60) MEN1CHRM2CHRM4CHRM5CHRM1
Ipratropium SCHEMBL27974717 0.70 CHRM2 (0.60) MEN1CHRM2CHRM4CHRM5CHRM1

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
EP-1494711-A4 METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ABGENIX INC (US) 2008-05-28 — — EP disclosed
EP-1494711-A1 METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) Abgenix, Inc. (US) 2005-01-12 — — EP disclosed
WO-2003080117-A1 METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ABGENIX, INC. (US) 2003-10-02 — — WO disclosed