Alprazolam

Alprazolam

SCHEMBL16922178

Cc1nnc2n1-[13c]1[13cH][13cH][13c](Cl)[13cH][13c]1C(c1ccccc1)=NC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Alprazolam. 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
GABRA1 known ✓ P14867 7/20 1.00
GABRA5 known ✓ P31644 7/20 1.00
GABRA2 known ✓ P47869 7/20 1.00
GABRB2 known ✓ P47870 6/20 1.00
GABRA3 known ✓ P34903 5/20 1.00
GABRG2 known ✓ P18507 2/20 0.77
GABRB3 known ✓ P28472 2/20 0.77
GABRP known ✓ O00591 1/20 0.58
GABRD known ✓ O14764 1/20 0.58
GABRB1 known ✓ P18505 1/20 0.58
GABRA4 known ✓ P48169 1/20 0.58
GABRE known ✓ P78334 1/20 0.58
GABRA6 known ✓ Q16445 1/20 0.58
GABRG1 known ✓ Q8N1C3 1/20 0.58
GABRG3 known ✓ Q99928 1/20 0.58
GABRQ known ✓ Q9UN88 1/20 0.58
OPRK1 P41145 5/20 1.00
HPGD P15428 4/20 1.00
BRD4 O60885 3/20 1.00
LMNA P02545 2/20 1.00

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
Alprazolam SCHEMBL29381667 1.00 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2OPRK1
Alprazolam SCHEMBL8398 1.00 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2OPRK1
Alprazolam SCHEMBL5480614 1.00 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2OPRK1
Alprazolam SCHEMBL22527891 0.99 GABRA1 (0.98) GABRA1GABRA5GABRA2GABRB2OPRK1
Alprazolam SCHEMBL28964138 0.99 GABRA1 (0.98) GABRA1GABRA5GABRA2GABRB2OPRK1
Alprazolam SCHEMBL2420072 0.91 GABRA1 (0.82) GABRA1GABRA5GABRA2GABRB2OPRK1
Alprazolam SCHEMBL4973049 0.91 GABRA1 (0.82) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL7323630 0.89 OPRK1 (0.80) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL11825281 0.88 OPRK1 (0.78) GABRA1GABRA5GABRA2GABRB2OPRK1
Triazolam SCHEMBL29228 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9347961-B2 Test kit for the quantitative determination of narcotic drugs CHIRON AS (NO) 2016-05-24 US disclosed
US-20150204893-A1 TEST KIT FOR THE QUANTITATIVE DETERMINATION OF NARCOTIC DRUGS CHIRON AS (NO) 2015-07-23 US disclosed