Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2555132 | 0.84 | ALDH1A1 (0.59) | CYP1A2CYP2D6ALDH1A1CYP3A4KDM4E | |
| Formic Acid SCHEMBL6327962 | 0.82 | HPGD (0.67) | ALDH1A1MAPTSMN1; SMN2POLBACHE | |
| SCHEMBL9326104 | 0.81 | TSHR (0.57) | CYP1A2CYP2D6ALDH1A1CYP3A4PTPN1 | |
| SCHEMBL14221228 | 0.81 | HDAC1 (0.70) | CYP1A2CYP2D6ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL15304597 | 0.80 | ALDH1A1 (0.67) | CYP1A2CYP2D6ALDH1A1CYP3A4PTPN1 | |
| SCHEMBL10475269 | 0.80 | RECQL (0.71) | CYP1A2ALDH1A1PTPN1KDM4ESMN1; SMN2 | |
| SCHEMBL17308837 | 0.79 | KDM4E (0.58) | CYP1A2CYP2D6ALDH1A1CYP3A4PTPN1 | |
| SCHEMBL15332397 | 0.79 | KDM4E (0.56) | CYP1A2CYP2D6ALDH1A1CYP3A4MAPT | |
| SCHEMBL2554836 | 0.79 | KDM4E (0.69) | CYP1A2CYP2D6ALDH1A1CYP3A4MAPT | |
| Mefexamide SCHEMBL126334 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP2D6ALDH1A1CYP3A4PTPN1 |
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 |