Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 19/20 | 0.56 |
| ▸ | F11 | P03951 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19668267 | 0.84 | KLKB1 (0.70) | KLKB1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL28339182 | 0.83 | KLKB1 (0.59) | KLKB1F11 | |
| SCHEMBL28339177 | 0.83 | F11 (0.70) | KLKB1F11 | |
| SCHEMBL17785397 | 0.81 | KLKB1 (0.74) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL16246727 | 0.80 | KLKB1 (0.59) | KLKB1F11 | |
| SCHEMBL17786993 | 0.74 | KLKB1 (0.52) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL16246944 | 0.73 | KLKB1 (0.55) | KLKB1 | |
| SCHEMBL19668268 | 0.72 | KLKB1 (0.66) | KLKB1F11CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL28880331 | 0.72 | KLKB1 (0.59) | KLKB1F11 | |
| SCHEMBL21145556 | 0.72 | KLKB1 (1.00) | KLKB1F11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107108576-B | N- ((hetero) arylmethyl) -heteroaryl-carboxamide compounds as plasma kallikrein inhibitors | 卡尔维斯塔制药有限公司 | 2020-03-10 | — | — | CN | disclosed |
| CN-110577519-A | N- ((hetero) arylmethyl) -heteroaryl-carboxamide compounds as plasma kallikrein inhibitors | 卡尔维斯塔制药有限公司 | 2019-12-17 | — | — | CN | disclosed |