Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.46 |
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | NOS2 | P35228 | 4/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL5344248 | 0.92 | SLC6A4 (0.39) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| Fumaric Acid SCHEMBL5344244 | 0.92 | SLC6A4 (0.39) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| SCHEMBL5348203 | 0.87 | SLC6A4 (0.49) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| SCHEMBL5344894 | 0.86 | SLC6A4 (0.46) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| SCHEMBL5347281 | 0.85 | SLC6A4 (0.47) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| SCHEMBL5353457 | 0.85 | SLC6A4 (0.57) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| SCHEMBL5347933 | 0.84 | SLC6A4 (0.46) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| SCHEMBL5349933 | 0.80 | AR (0.39) | SLC6A4SLC6A2CYP2D6NOS2AR | |
| Fumaric Acid SCHEMBL5346606 | 0.79 | SLC6A4 (0.42) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A | |
| Fumaric Acid SCHEMBL5346609 | 0.79 | SLC6A4 (0.42) | SLC6A4KCNH2SLC6A2SLC6A3HTR2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7119122-B2 | Compounds for the inhibition of nitric oxide synthase | ASTRAZENECA AB (SE) | 2006-10-10 | — | — | US | claimed |
| US-20040260088-A1 | 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines | ASTRAZENECA AB (SE) | 2004-12-23 | — | — | US | claimed |
| EP-1434756-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2004-07-07 | — | — | EP | claimed |
| WO-2003029185-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2003-04-10 | — | — | WO | claimed |
| US-7276528-B2 | Compounds for the inhibition of nitric oxide synthase | ASTRAZENECA AB (SE) | 2007-10-02 | — | — | US | disclosed |
| US-7119122-B2 | Compounds for the inhibition of nitric oxide synthase | ASTRAZENECA AB (SE) | 2006-10-10 | — | — | US | disclosed |
| US-20060217424-A1 | Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain | CONNOLLY STEPHEN | 2006-09-28 | — | — | US | disclosed |
| US-20040260088-A1 | 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines | ASTRAZENECA AB (SE) | 2004-12-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040260088-A1 | 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines | NOS1, NOS3, NOS2 | SLC6A4 395/4885KCNH2 852/4885SLC6A2 870/4885 |
| US-20060217424-A1 | Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain | NOS3, NOS1, NOS2 | SLC6A4 1110/4885KCNH2 424/4885SLC6A2 1537/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.