Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL5803125 | 1.00 | CA12 (0.42) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL7550008 | 0.83 | CA12 (0.38) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL10518873 | 0.83 | CA12 (0.38) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL7550001 | 0.83 | CA12 (0.38) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL8169905 | 0.78 | NPFFR2 (0.39) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL7920622 | 0.78 | NPFFR2 (0.39) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL2010954 | 0.78 | SMN1; SMN2 (0.55) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL533868 | 0.78 | SMN1; SMN2 (0.55) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL533867 | 0.78 | SMN1; SMN2 (0.55) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL6660559 | 0.77 | SMN1; SMN2 (0.40) | CA12CA1CA2ESR1CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006064484-A1 | AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-06-22 | — | — | WO | disclosed |