Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.30 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2486901 | 0.78 | — | — | |
| SCHEMBL13183262 | 0.75 | TSHR (0.35) | ALDH1A1 | |
| SCHEMBL2811646 | 0.75 | — | — | |
| SCHEMBL11332093 | 0.74 | ALDH1A1 (0.44) | ALDH1A1GABBR2GABBR1 | |
| SCHEMBL11601251 | 0.74 | — | — | |
| SCHEMBL8960263 | 0.72 | — | — | |
| SCHEMBL23350778 | 0.67 | — | — | |
| SCHEMBL18897588 | 0.67 | ALDH1A1 (0.40) | ALDH1A1GABBR2GABBR1 | |
| SCHEMBL21577433 | 0.67 | — | — | |
| SCHEMBL4900590 | 0.67 | — | — |
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-2011075634-A1 | BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 | JANSSEN PHARMACEUTICA NV (BE) | 2011-06-23 | — | — | WO | disclosed |