Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 4/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6320223 | 0.96 | AKT2 (0.41) | AKT2PDPK1EGFRCA12CA1 | |
| Trifluoroacetic Acid SCHEMBL6322940 | 0.95 | AKT2 (0.41) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL6328248 | 0.91 | PDPK1 (0.45) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL6328256 | 0.91 | PDPK1 (0.45) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL6317484 | 0.90 | AKT2 (0.45) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL6319717 | 0.90 | AKT2 (0.45) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL6321689 | 0.88 | PDPK1 (0.41) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL8012194 | 0.85 | SMN1; SMN2 (0.42) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL8012200 | 0.85 | SMN1; SMN2 (0.42) | AKT2PDPK1EGFRCA12CA1 | |
| SCHEMBL6319988 | 0.84 | PDPK1 (0.38) | AKT2PDPK1EGFRCA12CA1 |
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 3 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 |
| EP-1115704-B1 | NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-06-18 | — | — | EP | disclosed |