Glyphosate

Glyphosate

SCHEMBL1702447

O=C([O-])CNCP(=O)([O-])[O-].OCC[N+]1(Cc2ccccc2)CCOCC1.OCC[N+]1(Cc2ccccc2)CCOCC1.OCC[N+]1(Cc2ccccc2)CCOCC1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CCR5 P51681 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
FOLH1 Q04609 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Glyphosate SCHEMBL1702446 0.82 SMN1; SMN2 (0.34) SMN1; SMN2CYP2D6APOBEC3ACTDSP1APOBEC3G
Water SCHEMBL1702603 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CYP2D6APOBEC3ACTDSP1APOBEC3G
Phosphoric Acid SCHEMBL6940014 0.68 CETP (0.41) CYP2D6APOBEC3ACTDSP1APOBEC3G
SCHEMBL12704928 0.67 POLB (0.41) CYP2D6MEN1KMT2AALDH1A1
SCHEMBL6122174 0.66 SMN1; SMN2 (0.36) SMN1; SMN2CYP2D6APOBEC3ACTDSP1APOBEC3G
SCHEMBL4190131 0.65
Bromide SCHEMBL20604348 0.65 SMN1; SMN2 (0.37) SMN1; SMN2
Glyphosate SCHEMBL7194092 0.64 CA4 (0.35) FOLH1
Glyphosate SCHEMBL9947944 0.64 CA4 (0.35) FOLH1
Glyphosate SCHEMBL3665222 0.64 FOLH1 (0.38) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2013-05-02 US disclosed
WO-2012006313-A2 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-01-12 WO 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 (1 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-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE DDT, ACHE, CAT SMN1; SMN2 1480/4885CYP2D6 154/4885APOBEC3A 300/4885

“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.