Sildenafil

Sildenafil

SCHEMBL27980438

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.Cl.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.99

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PDE5A

The experimentally established mechanism targets of Sildenafil. 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
PDE5A known ✓ O76074 20/20 0.99
ABCC4 O15439 2/20 0.99
PDE3B Q13370 3/20 0.81
PDE3A Q14432 3/20 0.81
PDE2A O00408 1/20 0.81
ABCC5 O15440 1/20 0.81
PDE6D O43924 1/20 0.81
PDE8A O60658 1/20 0.81
PDE9A O76083 1/20 0.81
ABCB11 O95342 1/20 0.81
CYP3A4 P08684 1/20 0.81
HTR1A P08908 1/20 0.81
PDE6A P16499 1/20 0.81
PDE6G P18545 1/20 0.81
PDE4A P27815 1/20 0.81
ADORA2A P29274 1/20 0.81
ADORA1 P30542 1/20 0.81
ADRA1A P35348 1/20 0.81
PDE6B P35913 1/20 0.81
PDE6C P51160 1/20 0.81

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
Sildenafil SCHEMBL33982 0.99 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL29424508 0.99 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL6509338 0.99 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL405881 0.99 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL405882 0.99 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL19410963 0.99 PDE5A (0.99) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL6685385 0.99 PDE5A (0.99) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL28791531 0.99 PDE5A (0.99) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL17101160 0.98 PDE5A (0.97) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL7374712 0.97 PDE5A (0.96) PDE5AABCC4PDE3BPDE3APDE2A

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
CN-104010505-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-08-27 CN claimed
CN-101648906-B Insecticidal N-substituted sulfoximines DOW AGROSCIENCES LLC 2012-07-11 CN disclosed