Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 15/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL23754009 | 1.00 | SMPD3 (0.33) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL26307974 | 1.00 | SMPD3 (0.33) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23754011 | 1.00 | SMPD3 (0.33) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23754303 | 0.84 | KLKB1 (0.35) | KLKB1 | |
| SCHEMBL23754304 | 0.84 | KLKB1 (0.35) | KLKB1 | |
| SCHEMBL29906555 | 0.83 | SMPD3 (0.34) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23754018 | 0.83 | SMPD3 (0.34) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23768950 | 0.82 | SMPD3 (0.39) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23769616 | 0.81 | SMPD3 (0.36) | SMPD3KLKB1HCRTR1HCRTR2PDE10A | |
| SCHEMBL23769391 | 0.78 | SMPD3 (0.34) | SMPD3KLKB1HCRTR1HCRTR2PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115052873-A | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 勃林格殷格翰国际有限公司 | 2022-09-13 | — | — | CN | disclosed |