Testosterone

Testosterone

SCHEMBL9011200

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=C(O)CBr

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AR

The experimentally established mechanism targets of Testosterone. 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
AR known ✓ P10275 5/20 0.85
CYP3A4 P08684 8/20 0.85
LMNA P02545 7/20 0.85
CYP19A1 P11511 5/20 0.85
TSHR P16473 5/20 0.85
SHBG P04278 5/20 0.85
MAPT P10636 5/20 0.85
HSD17B10 Q99714 4/20 0.85
SERPINA6 P08185 4/20 0.85
NR3C1 P04150 4/20 0.85
PGR P06401 4/20 0.85
MAPK1 P28482 4/20 0.85
GPBAR1 Q8TDU6 3/20 0.85
SIGMAR1 Q99720 3/20 0.85
SNCA P37840 2/20 0.85
CACNA1C Q13936 2/20 0.85
CYP51A1 Q16850 2/20 0.85
OR51E2 Q9H255 1/20 0.85
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66

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
Testosterone SCHEMBL4045 0.94 CYP3A4 (0.85) CYP3A4LMNACYP19A1TSHRSHBG
Testosterone SCHEMBL2907975 0.94 CYP3A4 (0.85) CYP3A4LMNACYP19A1TSHRSHBG
Testosterone SCHEMBL8814300 0.93 LMNA (0.93) CYP3A4LMNACYP19A1TSHRSHBG
Testosterone SCHEMBL8075829 0.93 LMNA (0.83) CYP3A4LMNACYP19A1TSHRSHBG
Testosterone SCHEMBL547899 0.92 LMNA (0.91) CYP3A4LMNACYP19A1TSHRSHBG
Epitestosterone SCHEMBL16305625 0.92 AR (1.00) CYP3A4LMNACYP19A1TSHRSHBG
Epitestosterone SCHEMBL11588466 0.92 AR (1.00) CYP3A4LMNACYP19A1TSHRSHBG
Epitestosterone SCHEMBL21957465 0.92 AR (1.00) CYP3A4LMNACYP19A1TSHRSHBG
Epitestosterone SCHEMBL22704809 0.92 AR (1.00) CYP3A4LMNACYP19A1TSHRSHBG
Testosterone SCHEMBL4602538 0.92 AR (1.00) CYP3A4LMNACYP19A1TSHRSHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed