Sildenafil

Sildenafil

SCHEMBL405881

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 1.00
ABCC4 O15439 2/20 1.00
PDE3B Q13370 3/20 0.82
PDE3A Q14432 3/20 0.82
PDE2A O00408 1/20 0.82
ABCC5 O15440 1/20 0.82
PDE6D O43924 1/20 0.82
PDE8A O60658 1/20 0.82
PDE9A O76083 1/20 0.82
ABCB11 O95342 1/20 0.82
CYP3A4 P08684 1/20 0.82
HTR1A P08908 1/20 0.82
PDE6A P16499 1/20 0.82
PDE6G P18545 1/20 0.82
PDE4A P27815 1/20 0.82
ADORA2A P29274 1/20 0.82
ADORA1 P30542 1/20 0.82
ADRA1A P35348 1/20 0.82
PDE6B P35913 1/20 0.82
PDE6C P51160 1/20 0.82

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 1.00 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL6509338 1.00 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL405882 1.00 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL29424508 1.00 PDE5A (1.00) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL28791531 0.99 PDE5A (0.99) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL27980438 0.99 PDE5A (0.99) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL6685385 0.99 PDE5A (0.99) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL19410963 0.99 PDE5A (0.99) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL17101160 0.99 PDE5A (0.97) PDE5AABCC4PDE3BPDE3APDE2A
Sildenafil SCHEMBL7374712 0.98 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042927-A1 PHOSPHODIESTERASE INHIBITORS TO REPAIR BRAIN AND/OR RETINAL INJURY IN HUMAN NEWBORNS WINTERMARK PIA (CA) 2018-02-15 US disclosed
WO-2015134695-A1 METHOD OF MITIGATING THE SIDE EFFECTS OF A PHOSPHODIESTERASE TYPE V INHIBITOR IN A SUBJECT VYRIX PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed
US-20130338166-A1 REDUCING SIDE EFFECTS OF TRAMADOL DMI BIOSCIENCES, INC. (US) 2013-12-19 US disclosed
EP-2114147-B9 REDUCING SIDE EFFECTS OF TRAMADOL DMI BIOSCIENCES INC (US) 2013-04-10 EP disclosed
EP-2486927-A1 Treatment of Comorbid Premature Ejaculation and Erectile Dysfunction DMI Biosciences, Inc. (US) 2012-08-15 EP disclosed
EP-2486921-A1 Reducing Side Effects of Tramadol DMI Biosciences, Inc. (US) 2012-08-15 EP disclosed
EP-2114147-B1 REDUCING SIDE EFFECTS OF TRAMADOL DMI BIOSCIENCES INC (US) 2012-05-16 EP disclosed
EP-2120570-B1 TREATMENT OF COMORBID PREMATURE EJACULATION AND ERECTILE DYSFUNCTION DMI BIOSCIENCES INC (US) 2012-05-16 EP disclosed
US-20120018345-A1 Treatment of Comorbid Premature Ejaculation and Erectile Dysfunction ROSEWIND CORPORATION 2012-01-26 US disclosed
US-20120018333-A1 Reducing Side Effects of Tramadol ROSEWIND CORPORATION 2012-01-26 US disclosed
EP-1301619-A4 SYSTEM AND METHOD FOR OPTIMIZING TISSUE BARRIER TRANSFER OF COMPOUNDS TRANSFORM PHARMACEUTICALS INC (US) 2005-06-01 EP disclosed
WO-2004040006-A1 TRANSDERMAL ASSAY WITH MAGNETIC CLAMP TRANSFORM PHARMACEUTICALS, INC. (US) 2004-05-13 WO disclosed
EP-1204766-A4 SAMPLE ARRAYS AND HIGH-THROUGHPUT TESTING THEREOF TO DETECT INTERACTIONS TRANSFORM PHARMACEUTICALS INC (US) 2003-09-17 EP disclosed
EP-1301619-A1 SYSTEM AND METHOD FOR OPTIMIZING TISSUE BARRIER TRANSFER OF COMPOUNDS Transform Pharmaceuticals, Inc. (US) 2003-04-16 EP disclosed
EP-1248869-A2 HIGH-THROUGHPUT FORMATION, IDENTIFICATION, AND ANALYSIS OF DIVERSE SOLID-FORMS Transform Pharmaceuticals, Inc. (US) 2002-10-16 EP disclosed
EP-1204766-A1 SAMPLE ARRAYS AND HIGH-THROUGHPUT TESTING THEREOF TO DETECT INTERACTIONS Transform Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
WO-2001051919-A9 HIGH-THROUGHPUT FORMATION, IDENTIFICATION, AND ANALYSIS OF DIVERSE SOLID-FORMS TRANSFORM PHARMACEUTICALS INC (US) 2002-03-14 WO disclosed
WO-2002006518-A1 SYSTEM AND METHOD FOR OPTIMIZING TISSUE BARRIER TRANSFER OF COMPOUNDS TRANSFORM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed
WO-2001051919-A2 HIGH-THROUGHPUT FORMATION, IDENTIFICATION, AND ANALYSIS OF DIVERSE SOLID-FORMS TRANSFORM PHARMACEUTICALS, INC. (US) 2001-07-19 WO disclosed
WO-2001009391-A1 SAMPLE ARRAYS AND HIGH-THROUGHPUT TESTING THEREOF TO DETECT INTERACTIONS TRANSFORM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed