Known targets — ChEMBL curated mechanism
ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2
The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A known ✓ | O76074 | 20/20 | 0.95 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.78 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.78 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.95 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.78 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.78 |
| ▸ | PDE2A | O00408 | 1/20 | 0.78 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.78 |
| ▸ | PDE6D | O43924 | 1/20 | 0.78 |
| ▸ | PDE8A | O60658 | 1/20 | 0.78 |
| ▸ | PDE9A | O76083 | 1/20 | 0.78 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | HTR1A | P08908 | 1/20 | 0.78 |
| ▸ | PDE6A | P16499 | 1/20 | 0.78 |
| ▸ | PDE6G | P18545 | 1/20 | 0.78 |
| ▸ | PDE4A | P27815 | 1/20 | 0.78 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.78 |
| ▸ | PDE6B | P35913 | 1/20 | 0.78 |
| ▸ | PDE6C | P51160 | 1/20 | 0.78 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Citric Acid SCHEMBL14836746 | 1.00 | PDE5A (0.95) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL29424508 | 0.97 | PDE5A (1.00) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL6509338 | 0.97 | PDE5A (1.00) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL405881 | 0.97 | PDE5A (1.00) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL33982 | 0.97 | PDE5A (1.00) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL405882 | 0.97 | PDE5A (1.00) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL28791531 | 0.97 | PDE5A (0.99) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL6685385 | 0.97 | PDE5A (0.99) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL19410963 | 0.97 | PDE5A (0.99) | PDE5AABCC4PDE3BPDE3APDE2A | |
| Sildenafil SCHEMBL27980438 | 0.97 | PDE5A (0.99) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2578588-A1 | NOVEL 1,4-DIAZEPAM PDE-5 INHIBITOR DERIVATIVES | World-Trade Import-Export Wtie, AG (CH) | 2013-04-10 | — | — | EP | disclosed |