Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 14/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | CFD | P00746 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL21736858 | 0.85 | KLKB1 (0.64) | KLKB1 | |
| SCHEMBL31741485 | 0.85 | KLKB1 (0.64) | KLKB1 | |
| SCHEMBL21713030 | 0.83 | KLKB1 (0.65) | KLKB1CFD | |
| SCHEMBL31033223 | 0.83 | KLKB1 (0.65) | KLKB1CFD | |
| SCHEMBL22166202 | 0.76 | KLKB1 (0.52) | KLKB1KDM4ENTRK1CFD | |
| SCHEMBL21713084 | 0.75 | KLKB1 (0.43) | KLKB1KDM4ENTRK1CFDNR4A2 | |
| SCHEMBL31033225 | 0.75 | KLKB1 (0.43) | KLKB1KDM4ENTRK1CFDNR4A2 | |
| SCHEMBL21736737 | 0.75 | KLKB1 (0.65) | KLKB1 | |
| SCHEMBL21736618 | 0.75 | KLKB1 (0.64) | KLKB1KDM4ECFD | |
| SCHEMBL31741508 | 0.75 | KLKB1 (0.64) | KLKB1KDM4ECFD |
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 |