Betaxolol

Betaxolol

SCHEMBL7258551

C/C=C/C=C/C(=O)O.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Betaxolol. 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
ADRB1 known ✓ P08588 2/20 0.76
LMNA P02545 3/20 0.76
ADRB2 P07550 1/20 0.76
GAA P10253 1/20 0.76
BLM P54132 1/20 0.76
TMEM97 Q5BJF2 1/20 0.76
SIGMAR1 Q99720 1/20 0.76
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CYP2D6 P10635 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C9 P11712 1/20 0.74
THRB P10828 1/20 0.56
ALOX12 P18054 1/20 0.56
NFKB1 P19838 1/20 0.56
APEX1 P27695 1/20 0.56
MAPK1 P28482 1/20 0.56
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
PMP22 Q01453 1/20 0.53

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
Betaxolol SCHEMBL29049065 0.92 LMNA (0.84) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL26664793 0.87 ADRB1 (0.90) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL26664844 0.87 ADRB1 (0.90) LMNAADRB1ADRB2GAABLM
Levobetaxolol SCHEMBL42795 0.87 LMNA (1.00) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL42794 0.87 LMNA (1.00) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL26664797 0.86 ADRB1 (0.88) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL23530 0.86 ADRB1 (1.00) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL4997902 0.86 ADRB1 (1.00) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL6512495 0.86 ADRB1 (1.00) LMNAADRB1ADRB2GAABLM
Betaxolol SCHEMBL23531 0.86 ADRB1 (1.00) LMNAADRB1ADRB2GAABLM

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-6645963-B2 Incorporation of a C3-7 fatty acid, e.g., sorbic acid, improves the penetration of the beta-blocker, e.g., carteolol hydrochloride, into the eye and retention in the eye tissues; glaucoma; vision defects SENJU PHARMACEUTICAL CO., LTD. (JP) 2003-11-11 US disclosed
US-20010041721-A1 Prolonged-action eye drop SENJU PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
US-20010012859-A1 Prolonged-action eye drop SENJU PHARMACEUTICAL CO., LTD. (JP) 2001-08-09 US disclosed