Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA6 | P23280 | 3/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4073856 | 0.86 | LRRK2 (0.51) | LRRK2CA1CA2CA12CA9 | |
| SCHEMBL8976123 | 0.81 | CA2 (0.52) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL27181150 | 0.81 | CA2 (0.41) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL28134095 | 0.80 | MAOB (0.49) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL31457100 | 0.80 | CA1 (0.39) | LRRK2CA1CA2CA12CA9 | |
| SCHEMBL3823919 | 0.79 | CA1 (0.40) | LRRK2CA1CA2CA12CA9 | |
| SCHEMBL2896796 | 0.79 | LRRK2 (0.51) | LRRK2CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL5808148 | 0.77 | MAOB (0.47) | LRRK2CA1CA2CA12CA9 | |
| SCHEMBL4759798 | 0.77 | CASP1 (0.48) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL27895889 | 0.75 | CA2 (0.52) | CA1CA2CA12CA9PTGS2 |
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-2104677-A1 | SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-30 | — | — | EP | disclosed |
| WO-2008084005-A1 | SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-07-17 | — | — | WO | disclosed |