Paeonivayin

Paeonivayin

SCHEMBL18504853

C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]1O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@H](O)[C@H]1O)C3(COC(=O)c1ccccc1)C(=O)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYNJ2 O15056 3/20 1.00
SLC22A1 O15245 1/20 0.57
GRK2 P25098 1/20 0.49
ALDH1A1 P00352 3/20 0.38
TYMP P19971 1/20 0.37
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CES2 O00748 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
Albiflorin SCHEMBL21164770 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL21315817 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL623462 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL15235363 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL29500192 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL24008597 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL21702839 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL22648992 0.93 SYNJ2 (0.87) SYNJ2SLC22A1GRK2
Albiflorin SCHEMBL13387630 0.92 SYNJ2 (0.85) SYNJ2SLC22A1GRK2
SCHEMBL26946999 0.91 SYNJ2 (0.84) SYNJ2SLC22A1GRK2ALDH1A1TYMP

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-20170042857-A1 SYNAPTOJANIN-2 INHIBITORS FOR USE IN THE TREATMENT OF CANCER YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-02-16 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-20170042857-A1 SYNAPTOJANIN-2 INHIBITORS FOR USE IN THE TREATMENT OF CANCER SNAP29, SYNJ1, TPX2 SYNJ2 6/4885SLC22A1 2626/4885GRK2 283/4885

“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.