Sugi Predict

Sugi Predict / Compounds / Deslanoside

Deslanoside

Deslanoside

SCHEMBL28142803

CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C.C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ATP1A1ATP1A2ATP1A3ATP1A4ATP1B1ATP1B2ATP1B3FXYD2

The experimentally established mechanism targets of Deslanoside. 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
▸ ATP1A1 known ✓ P05023 13/20 0.77
▸ ATP1B1 known ✓ P05026 13/20 0.77
▸ ATP1B2 known ✓ P14415 13/20 0.77
▸ ATP1A2 known ✓ P50993 13/20 0.77
▸ ATP1B3 known ✓ P54709 13/20 0.77
▸ ATP1A3 known ✓ P13637 3/20 0.77
▸ FXYD2 known ✓ P54710 3/20 0.77
▸ ATP1A4 known ✓ Q13733 3/20 0.77
▸ MAPT P10636 1/20 0.95
▸ LMNA P02545 3/20 0.85
▸ TP53 P04637 3/20 0.85
▸ SMN1; SMN2 Q16637 3/20 0.85
▸ PAX8 Q06710 3/20 0.85
▸ THRB P10828 1/20 0.85
▸ NPC1 O15118 1/20 0.77
▸ GLA P06280 1/20 0.77
▸ STAT3 P40763 1/20 0.77
▸ RECQL P46063 1/20 0.77
▸ RAB9A P51151 1/20 0.77
▸ RORC P51449 1/20 0.77

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
Deslanoside SCHEMBL12840817 0.97 MAPT (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Deslanoside SCHEMBL125312 0.97 MAPT (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Deslanoside SCHEMBL125311 0.97 MAPT (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Deslanoside SCHEMBL10633059 0.93 MAPT (0.92) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL23054706 0.92 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL15959375 0.92 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL18947801 0.92 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL20582682 0.92 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL44110 0.92 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
SCHEMBL2518238 0.92 MAPT (0.89) MAPTLMNATP53SMN1; SMN2PAX8

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
CN-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 — — CN disclosed
Send feedback