Timolol

Timolol

SCHEMBL5539013

CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2

The experimentally established mechanism targets of Timolol. 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
ADRB2 known ✓ P07550 1/20 0.98
ADRB1 known ✓ P08588 1/20 0.98
CYP1A2 P05177 1/20 0.98
CYP3A4 P08684 1/20 0.98
HTR1A P08908 1/20 0.98
CYP2D6 P10635 1/20 0.98
ADRB3 P13945 1/20 0.98
NFKB1 P19838 1/20 0.98
DRD1 P21728 1/20 0.98
SIGMAR1 Q99720 1/20 0.98
TDP1 Q9NUW8 1/20 0.98
SMN1; SMN2 Q16637 1/20 0.83
BLM P54132 1/20 0.83
ALDH1A1 P00352 5/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 2/20 0.49

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
Timolol SCHEMBL7591293 1.00 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL222970 0.99 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL1587691 0.99 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL2553603 0.99 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL4912 0.99 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL8858736 0.98 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL2356059 0.98 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL16094075 0.98 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL11418545 0.98 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL8858730 0.98 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119064515-A Separation and determination method of eye drop related impurities of timolol bemeflone 杭州民生药业股份有限公司 2024-12-03 CN claimed
EP-2485691-B1 OPHTHALMIC DRUG DELIVERY EYENOVIA INC (US) 2020-03-18 EP claimed
EP-0305496-A4 TIMOLOL DERIVATIVES. INSITE VISION INC (US) 1989-07-11 EP claimed
EP-0305496-A1 TIMOLOL DERIVATIVES INSITE VISION, INC. (US) 1989-03-08 EP claimed
WO-1988007044-A1 TIMOLOL DERIVATIVES INSITE VISION, INC. (US) 1988-09-22 WO claimed
CN-116327482-A Apparatus and method for ocular injection 科尼尔赛德生物医学公司 2023-06-27 CN disclosed
CN-110302004-B Apparatus and method for ocular injection 科尼尔赛德生物医学公司 2023-04-28 CN disclosed
CN-110545850-A Releasable conjugates QUIAPEG PHARMACEUTICALS AB 2019-12-06 CN disclosed
US-RE39588-E1 Transdermal drug delivery device ALZA CORPORATION (US) 2007-04-24 US disclosed
CN-1906182-A Nitrooxyderivatives of antihypertensive agents NICOX SA (FR) 2007-01-31 CN disclosed
US-7053068-B2 Chitosan-thio-amidine conjugates and their cosmetic as well as pharmaceutic use MUCOBIOMER BIOTECHNOLOGISCHE FORSCHUNGS- UND ENTWICKLUNGS GESMBH (AT) 2006-05-30 US disclosed
US-20040236095-A1 Chitosan-thio-amidine conjugates and their cosmetic as well as pharmeceutic use MUCOBIOMER BIOTECHNOLOGISCHE FORSCHUNGS-UND ENTWICKLUNGS GESMBH (AT) 2004-11-25 US disclosed
EP-0305496-A4 TIMOLOL DERIVATIVES. INSITE VISION INC (US) 1989-07-11 EP disclosed
US-4837027-A THERAPEUTIC AGENT STORED AS SALT, MOISTURE ACTIVATES ALZA CORPORATION (US) 1989-06-06 US disclosed
EP-0316065-A2 Improved transdermal drug delivery device ALZA CORPORATION (US) 1989-05-17 EP disclosed
EP-0305496-A1 TIMOLOL DERIVATIVES INSITE VISION, INC. (US) 1989-03-08 EP disclosed
US-4781924-A RELEASE BY MOISTURE ACTIVATOR ALZA CORPORATION (US) 1988-11-01 US disclosed
WO-1988007044-A1 TIMOLOL DERIVATIVES INSITE VISION, INC. (US) 1988-09-22 WO disclosed
EP-0008711-B1 A METHOD OF PREPARING A 2-HYDROXY-3-ISOPROPYL OR A 2-HYDROXY-3-TERT-BUTYLAMINOPROPYL AROMATIC ETHER SMITHKLINE BECKMAN CORPORATION (US) 1981-11-04 EP disclosed
EP-0008711-A1 A method of preparing a 2-hydroxy-3-isopropyl or a 2-hydroxy-3-tert-butylaminopropyl aromatic ether SMITHKLINE BECKMAN CORPORATION (US) 1980-03-19 EP disclosed