Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19984466 | 1.00 | SLC6A3 (0.44) | SLC6A3NCF1CA1CA2CA4 | |
| SCHEMBL13906059 | 1.00 | SLC6A3 (0.44) | SLC6A3NCF1CA1CA2CA4 | |
| SCHEMBL12561240 | 0.89 | DPP4 (0.37) | SLC6A3NCF1GNAI3GNAO1GNAI1 | |
| SCHEMBL12560837 | 0.89 | DPP4 (0.37) | SLC6A3NCF1GNAI3GNAO1GNAI1 | |
| SCHEMBL24923399 | 0.85 | GNAO1 (0.41) | SLC6A3GNAI3GNAO1GNAI1 | |
| SCHEMBL12561291 | 0.83 | NCF1 (0.37) | SLC6A3NCF1 | |
| SCHEMBL12561243 | 0.83 | NCF1 (0.37) | SLC6A3NCF1 | |
| SCHEMBL20688084 | 0.83 | NCF1 (0.37) | SLC6A3NCF1 | |
| SCHEMBL22252594 | 0.83 | NCF1 (0.37) | SLC6A3NCF1 | |
| SCHEMBL25032669 | 0.83 | NCF1 (0.37) | SLC6A3NCF1 |
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-2018052773-A1 | PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |