Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | IRS1 | P35568 | 1/20 | 0.37 |
| ▸ | GAB1 | Q13480 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL38662126 | 0.88 | KCNH2 (0.43) | KCNH2THRBTHRAFAAHACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL38665301 | 0.83 | MAPT (0.39) | KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL5705540 | 0.83 | MAPT (0.39) | KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL4798225 | 0.82 | KCNH2 (0.41) | KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL7787040 | 0.82 | ACHE (0.39) | KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL29698948 | 0.79 | PSMB8 (0.32) | ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL6429035 | 0.79 | KCNH2 (0.47) | KCNH2 | |
| Trifluoroacetic Acid SCHEMBL8435890 | 0.76 | FFAR1 (0.42) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4804620 | 0.76 | KCNH2 (0.36) | KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL7044184 | 0.76 | ESR1 (0.40) | KCNH2ACHE |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501830-A1 | 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | Actelion Pharmaceuticals Ltd. (CH) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093267-A1 | 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2003-11-13 | — | — | WO | disclosed |