Myralact

Myralact

SCHEMBL2734628

CC(O)C(=O)O.CCCCCCCCCCCCCCNCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1

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

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
NAAA Q02083 1/20 0.44
S1PR5 Q9H228 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
EPHX1 P07099 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ACE2 Q9BYF1 1/20 0.41

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
Lactic Acid SCHEMBL5425195 0.93 ALDH1A1 (0.54) ALDH1A1TSHRS1PR2S1PR4S1PR1
Lactic Acid SCHEMBL28770151 0.86 ALDH1A1 (0.46) ALDH1A1TSHRS1PR2S1PR4S1PR1
Lactic Acid SCHEMBL28596358 0.85 TSHR (0.48) ALDH1A1TSHRS1PR2S1PR4S1PR1
Acetic Acid SCHEMBL18668671 0.85 ALDH1A1 (0.54) ALDH1A1TSHRS1PR2S1PR4S1PR1
Lactic Acid SCHEMBL8519748 0.85 PAOX (0.54) ALDH1A1TSHRS1PR2S1PR4S1PR1
Lactic Acid SCHEMBL25181229 0.85 TP53 (0.50) ALDH1A1TSHRS1PR2S1PR4S1PR1
Diethanolamine SCHEMBL1832717 0.84 TP53 (0.55) ALDH1A1TSHR
Lactic Acid SCHEMBL8518756 0.83 PAOX (0.53) ALDH1A1TSHRS1PR2S1PR4S1PR1
Diethanolamine SCHEMBL29793527 0.83 NAAA (0.42) ALDH1A1TSHRS1PR2S1PR4S1PR1
Diethanolamine SCHEMBL2803527 0.82 TP53 (0.52) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8454582-B2 Methods and devices for the treatment of ocular conditions SURMODICS, INC. (US) 2013-06-04 US disclosed
US-20110159073-A1 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS DEJUAN EUGENE 2011-06-30 US disclosed
US-20060110428-A1 Methods and devices for the treatment of ocular conditions SURMODICS MD, LLC 2006-05-25 US disclosed
WO-2006014484-A2 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS SURMODICS, INC. (US) 2006-02-09 WO disclosed
US-20050002865-A1 Diagnostic/therapeutic agents AMERSHAM HEALTH AS (NO) 2005-01-06 US disclosed
US-20040141922-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2004-07-22 US disclosed
US-6680047-B2 FOR USE IN ULTRASOUND IMAGING, CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2004-01-20 US disclosed
US-20020102215-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-20020102217-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-6331289-B1 ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED NYCOMED IMAGING AS (NO) 2001-12-18 US disclosed
US-6264917-B1 MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 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-20040141922-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ALDH1A1 4549/4885TSHR 2096/4885S1PR2 741/4885
US-20050002865-A1 Diagnostic/therapeutic agents FUS, HNRNPF, HNRNPR ALDH1A1 3855/4885TSHR 743/4885S1PR2 2241/4885
US-20020102215-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ALDH1A1 4459/4885TSHR 1871/4885S1PR2 573/4885

“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.