Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.30 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.30 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 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 | |
|---|---|---|---|---|
| SCHEMBL21736669 | 0.81 | KLKB1 (0.56) | KLKB1ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL21713011 | 0.80 | SMO (0.43) | KLKB1ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL29906615 | 0.80 | SMO (0.43) | KLKB1ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL22166237 | 0.78 | KLKB1 (0.56) | KLKB1ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL21736897 | 0.76 | KLKB1 (0.56) | KLKB1KDM4EALDH1A1HPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL23830228 | 0.76 | KLKB1 (0.52) | KLKB1ALDH1A1HPGDHSD17B10TSHR | |
| Trifluoroacetic Acid SCHEMBL29906622 | 0.76 | KLKB1 (0.52) | KLKB1ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL23830229 | 0.74 | KLKB1 (0.52) | KLKB1ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL23769680 | 0.74 | KLKB1 (0.40) | KLKB1KDM4EL3MBTL1ALDH1A1HPGD | |
| SCHEMBL23769373 | 0.69 | BTK (0.51) | KLKB1L3MBTL1HSD17B10BTK |
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 |