Izalpinin

Izalpinin

SCHEMBL29974286

COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.83
CYP3A4 P08684 5/20 0.75
MAPT P10636 5/20 0.75
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
KDM4E B2RXH2 3/20 0.75
LMNA P02545 3/20 0.75
HSD17B10 Q99714 2/20 0.75
IPMK Q8NFU5 2/20 0.75
IP6K2 Q9UHH9 2/20 0.75
APP P05067 1/20 0.75
THRB P10828 1/20 0.75
AKR1B1 P15121 1/20 0.75
RECQL P46063 1/20 0.75
ELAVL3 Q14576 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
ABCB1 P08183 4/20 0.73
CYP1A1 P04798 4/20 0.73
CYP1A2 P05177 4/20 0.73
CYP1B1 Q16678 4/20 0.73

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
Izalpinin SCHEMBL7551775 1.00 MAOA (0.83) MAOACYP3A4MAPTMEN1KMT2A
Rhamnocitrin SCHEMBL29903288 0.91 MAOA (1.00) MAOACYP3A4MAPTMEN1KMT2A
SCHEMBL748643 0.91 MAOA (0.90) MAOACYP3A4MAPTMEN1KMT2A
Rhamnocitrin SCHEMBL1759429 0.91 MAOA (1.00) MAOACYP3A4MAPTMEN1KMT2A
SCHEMBL28536757 0.88 ABCG2 (0.83) MAOACYP3A4MAPTMEN1KMT2A
SCHEMBL38650680 0.88 ABCG2 (0.83) MAOACYP3A4MAPTMEN1KMT2A
SCHEMBL18130384 0.88 ABCB1 (0.83) MAOACYP3A4MAPTMEN1KMT2A
Rhamnetin SCHEMBL7926021 0.87 MEN1 (0.78) MAOACYP3A4MAPTMEN1KMT2A
SCHEMBL777545 0.87 APP (0.73) MAOACYP3A4MAPTMEN1KMT2A
SCHEMBL12640013 0.86 KDM4E (0.79) MAOACYP3A4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240373850-A1 Compositions comprising resinous exudate metabolites from plants of the genus Adesmia, used to control and treat infections in plant crops; and methods for controlling infections in plant crops. PONTIFICIA UNIV CATOLICA DE VALPARAISO (CL) 2024-11-14 US claimed
WO-2022221968-A1 COMPOSITIONS COMPRISING RESINOUS EXUDATE METABOLITES FROM PLANTS OF THE GENUS ADESMIA, USED TO CONTROL AND TREAT INFECTIONS IN PLANT CROPS; AND METHODS FOR CONTROLLING INFECTIONS IN PLANT CROPS PONTIFICIA UNIVERSIDAD CATÓLICA DE VALPARAÍSO (CL) 2022-10-27 WO claimed
US-20240373850-A1 Compositions comprising resinous exudate metabolites from plants of the genus Adesmia, used to control and treat infections in plant crops; and methods for controlling infections in plant crops. PONTIFICIA UNIV CATOLICA DE VALPARAISO (CL) 2024-11-14 US disclosed
US-20240373850-A1 Compositions comprising resinous exudate metabolites from plants of the genus Adesmia, used to control and treat infections in plant crops; and methods for controlling infections in plant crops. PONTIFICIA UNIV CATOLICA DE VALPARAISO (CL) 2024-11-14 US disclosed
WO-2022221968-A1 COMPOSITIONS COMPRISING RESINOUS EXUDATE METABOLITES FROM PLANTS OF THE GENUS ADESMIA, USED TO CONTROL AND TREAT INFECTIONS IN PLANT CROPS; AND METHODS FOR CONTROLLING INFECTIONS IN PLANT CROPS PONTIFICIA UNIVERSIDAD CATÓLICA DE VALPARAÍSO (CL) 2022-10-27 WO disclosed
WO-2022221968-A1 COMPOSITIONS COMPRISING RESINOUS EXUDATE METABOLITES FROM PLANTS OF THE GENUS ADESMIA, USED TO CONTROL AND TREAT INFECTIONS IN PLANT CROPS; AND METHODS FOR CONTROLLING INFECTIONS IN PLANT CROPS PONTIFICIA UNIVERSIDAD CATÓLICA DE VALPARAÍSO (CL) 2022-10-27 WO disclosed
WO-2022202961-A1 METHOD FOR PRODUCING DEMETHYLATED COMPOUND 株式会社ダイセル 2022-09-29 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-20240373850-A1 Compositions comprising resinous exudate metabolites from plants of the genus Adesmia, used to control and treat infections in plant crops; and methods for controlling infections in plant crops. ERG28, RXFP4, CROCC MAOA 2174/4885CYP3A4 1006/4885MAPT 4500/4885

“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.