Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.48 |
| ▸ | PPARG | P37231 | 7/20 | 0.48 |
| ▸ | PPARD | Q03181 | 7/20 | 0.48 |
| ▸ | PPARA | Q07869 | 7/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL112345 | 1.00 | AKR1B1 (0.50) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL112344 | 1.00 | AKR1B1 (0.50) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL1721049 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL30595585 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL124559 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL1864621 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL29132849 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL30900564 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL5077544 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL27847374 | 0.98 | GPR84 (0.52) | AKR1B1GPR84PPARGPPARDPPARA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1981847-A1 | SECONDARY AMINES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007088514-A1 | SECONDARY AMINES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-08-09 | — | — | WO | disclosed |
| 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 |