Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 8/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23769409 | 0.88 | GRM2 (0.39) | GRM2KLKB1 | |
| SCHEMBL23754078 | 0.87 | KLKB1 (0.46) | GRM2KLKB1SCN9AP2RY12KDM4E | |
| SCHEMBL29906544 | 0.87 | KLKB1 (0.46) | GRM2KLKB1SCN9AP2RY12KDM4E | |
| SCHEMBL23768933 | 0.80 | KLKB1 (0.46) | KLKB1 | |
| SCHEMBL23769290 | 0.78 | KLKB1 (0.39) | GRM2KLKB1 | |
| SCHEMBL23769210 | 0.77 | KLKB1 (0.38) | GRM2KLKB1 | |
| SCHEMBL23754334 | 0.76 | KLKB1 (0.43) | GRM2KLKB1KDM4E | |
| SCHEMBL23753977 | 0.75 | KLKB1 (0.42) | GRM2KLKB1 | |
| SCHEMBL23754097 | 0.75 | KLKB1 (0.47) | KLKB1 | |
| SCHEMBL23754004 | 0.74 | KLKB1 (0.42) | GRM2KLKB1P2RY12 |
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 |