Alfadex

Alfadex

SCHEMBL25455476

OCC1OC2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CO)O[C@H](O[C@H]1[C@H](O)[C@@H]2O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
TSHR P16473 2/20 1.00
LMNA P02545 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
TXNRD1 Q16881 6/20 0.77
TXNRD3 Q86VQ6 6/20 0.77
TXNRD2 Q9NNW7 6/20 0.77
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LGALS1 P09382 2/20 0.37
LGALS3 P17931 2/20 0.37

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
Alfadex SCHEMBL21134960 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL25455463 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL24109285 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20533920 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL25455531 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL23188277 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL24109286 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23188251 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20998969 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL19257437 1.00 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149284-A1 Cyclodextrins as dental cleaning powders FERTON HOLDING S.A. (CH) 2023-05-18 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 (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-20230149284-A1 Cyclodextrins as dental cleaning powders CROCC, CLTC, PICALM ALDH1A1 3624/4885TSHR 4696/4885LMNA 4859/4885

“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.