Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 7/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL23769377 | 0.96 | KLKB1 (0.34) | SMPD3KLKB1HCRTR1HCRTR2RET | |
| SCHEMBL23843150 | 0.91 | KLKB1 (0.35) | SMPD3KLKB1HCRTR1HCRTR2RET | |
| SCHEMBL23768950 | 0.81 | SMPD3 (0.39) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23769616 | 0.78 | SMPD3 (0.36) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23843137 | 0.78 | KLKB1 (0.35) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23769134 | 0.76 | KLKB1 (0.38) | KLKB1HCRTR1HCRTR2 | |
| SCHEMBL23769391 | 0.74 | SMPD3 (0.34) | SMPD3KLKB1HCRTR1HCRTR2RET | |
| SCHEMBL29906555 | 0.74 | SMPD3 (0.34) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23754018 | 0.74 | SMPD3 (0.34) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23830202 | 0.73 | KLKB1 (0.39) | SMPD3KLKB1HCRTR1HCRTR2 |
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-2021160718-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-08-19 | — | — | WO | disclosed |