Ketotifen

Ketotifen

SCHEMBL226911

CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Ketotifen. 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
HRH1 known ✓ P35367 6/20 1.00
DRD3 P35462 7/20 1.00
CHRM2 P08172 5/20 1.00
ADRA2A P08913 5/20 1.00
CHRM1 P11229 5/20 1.00
DRD1 P21728 5/20 1.00
ADRA2B P18089 4/20 1.00
HTR2A P28223 4/20 1.00
HTR2C P28335 4/20 1.00
DRD2 P14416 4/20 1.00
LMNA P02545 3/20 1.00
HTR3A P46098 3/20 1.00
CHRM4 P08173 3/20 1.00
CHRM5 P08912 3/20 1.00
CHRM3 P20309 3/20 1.00
HTR6 P50406 3/20 1.00
HTR7 P34969 3/20 1.00
MAPK1 P28482 2/20 1.00
DRD5 P21918 1/20 1.00
HTR1B P28222 1/20 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
Ketotifen SCHEMBL8809 1.00 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL29400782 1.00 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL8810 1.00 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL1170677 1.00 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL27443523 1.00 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL27685749 0.99 DRD3 (0.98) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL28259804 0.99 DRD3 (0.98) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL9060252 0.92 DRD3 (0.89) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL4436 0.91 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL29356083 0.91 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004265-A1 Ophthalmic Compositions and Methods of Using the Same WP PRISM INC. (N/K/A BAUSCH & LOMB HOLDINGS INC.) 2012-01-05 US disclosed
EP-1845983-A4 OPHTHALMIC COMPOSITIONS AND METHODS OF USING THE SAME BAUSCH & LOMB (US) 2008-03-12 EP disclosed
EP-1845983-A1 OPHTHALMIC COMPOSITIONS AND METHODS OF USING THE SAME BAUSCH & LOMB INCORPORATED (US) 2007-10-24 EP disclosed
US-20060148899-A1 Ophthalmic compositions and methods of using the same BAUSCH & LOMB INCORPORATED 2006-07-06 US disclosed
WO-2006047418-A1 OPHTHALMIC COMPOSITIONS AND METHODS OF USING THE SAME ALIMERA SCIENCES, INC. (US) 2006-05-04 WO disclosed
US-20060089384-A1 Ophthalmic compositions and methods of using the same BAUSCH & LOMB INCORPORATED 2006-04-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060089384-A1 Ophthalmic compositions and methods of using the same GK, MYOC, SPHK2 HRH1 7/4885DRD3 2210/4885CHRM2 1035/4885
US-20120004265-A1 Ophthalmic Compositions and Methods of Using the Same HRH2, HRH3, HRH1 HRH1 3/4885DRD3 1308/4885CHRM2 764/4885
US-20060148899-A1 Ophthalmic compositions and methods of using the same HRH2, HRH3, HRH1 HRH1 3/4885DRD3 1308/4885CHRM2 764/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.