Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6326788 | 0.88 | KMT2A (0.35) | TAS1R3TAS1R1ALDH1A1CA2 | |
| SCHEMBL6327965 | 0.81 | SMN1; SMN2 (0.44) | TAS1R3TAS1R1TDP1SMN1; SMN2 | |
| SCHEMBL20324943 | 0.80 | CA1 (0.48) | TAS1R3TAS1R1MTNR1AMTNR1BMMP1 | |
| SCHEMBL20041847 | 0.72 | FFAR1 (0.45) | TAS1R3TAS1R1ALDH1A1CYP2A6CA1 | |
| Hydrochloric Acid SCHEMBL11567286 | 0.71 | TDP1 (0.33) | TDP1ALDH1A1 | |
| SCHEMBL3443780 | 0.70 | AOC3 (0.63) | TDP1ALDH1A1SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL4723219 | 0.69 | CNR2 (0.49) | TDP1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL8372736 | 0.68 | ALDH1A3 (0.50) | ALDH1A1CYP2A6SMN1; SMN2 | |
| SCHEMBL11035722 | 0.67 | PPARG (0.35) | TAS1R3TAS1R1MMP1MMP13SLC6A4 | |
| SCHEMBL8932490 | 0.67 | EPHX1 (0.44) | ALDH1A1HTTSMN1; SMN2 |
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 |