Tetrydamine

Tetrydamine

SCHEMBL8991686

CNc1c2c(nn1C)CCCC2.O=C(O)/C=C\C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Tetrydamine. 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
GAA P10253 4/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
POLB P06746 2/20 0.73
CYP1A2 P05177 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NTRK1 P04629 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
INMT O95050 3/20 0.35
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ACHE P22303 1/20 0.32
USP2 O75604 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
Tetrydamine SCHEMBL43249 0.85 GAA (1.00) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL4770442 0.70 POLB (1.00) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL24405748 0.69 POLB (0.96) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL16739580 0.69 POLB (0.62) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL9988831 0.69 GAA (0.62) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL13145631 0.67 GAA (0.65) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL17324712 0.67 POLB (0.74) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL23062881 0.67 POLB (0.93) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL5067149 0.66 POLB (0.72) GAAMEN1KMT2APOLBCYP1A2
SCHEMBL16144859 0.66 MAPT (0.72) GAAMEN1KMT2APOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510561-B1 Oral, cutaneous and intravaginal pharmaceutical compositions in the form of foam POLI IND CHIMICA SPA (IT) 1996-07-24 EP disclosed
US-5369131-A Oral, cutaneous and intravaginal pharmaceutical compositions in the form of foam POLI INDUSTRIA CHIMICA S.P.A. (IT) 1994-11-29 US disclosed
EP-0510561-A1 Oral, cutaneous and intravaginal pharmaceutical compositions in the form of foam POLI INDUSTRIA CHIMICA S.p.A. (IT) 1992-10-28 EP disclosed