Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23843116 | 1.00 | ADORA3 (0.34) | ADORA3ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL23769304 | 0.89 | KLKB1 (0.39) | ADORA3ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL23768962 | 0.88 | KLKB1 (0.34) | MAPTTRPA1PDE10ALMNAADORA2B | |
| SCHEMBL23769694 | 0.85 | KLKB1 (0.39) | ALDH1A1KMT2AKDM4EHPGDTRPA1 | |
| SCHEMBL23769464 | 0.84 | KLKB1 (0.33) | ALDH1A1MEN1KMT2AL3MBTL1TRPA1 | |
| SCHEMBL23769506 | 0.84 | MAPT (0.34) | ALDH1A1KDM4EMAPTHPGDTRPA1 | |
| SCHEMBL23769297 | 0.83 | KLKB1 (0.34) | ALDH1A1MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL23769405 | 0.82 | KLKB1 (0.40) | KDM4ETRPA1PDE10AHSD17B10 | |
| SCHEMBL23843172 | 0.78 | PDE10A (0.33) | ALDH1A1MEN1KMT2AL3MBTL1PDE10A | |
| SCHEMBL23768964 | 0.77 | KLKB1 (0.41) | KDM4EMAPTTRPA1PDE10ALMNA |
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 |