Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL574695 | 0.81 | CREBBP (0.52) | KLKB1ACHEALDH1A1PARP1CREBBP | |
| SCHEMBL659349 | 0.75 | ACHE (0.64) | ACHE | |
| SCHEMBL28309802 | 0.74 | ACHE (0.49) | ACHEPARP10 | |
| SCHEMBL25819849 | 0.74 | ACHE (0.49) | ACHEPARP10 | |
| SCHEMBL12862846 | 0.72 | ACHE (0.47) | ACHE | |
| SCHEMBL16323742 | 0.72 | ALKBH2 (0.44) | ACHEALDH1A1CREBBP | |
| SCHEMBL25430220 | 0.71 | ACHE (0.41) | KLKB1ACHE | |
| SCHEMBL20532460 | 0.71 | CREBBP (0.71) | CREBBP | |
| SCHEMBL31322788 | 0.71 | MAPK14 (0.49) | ALDH1A1PARP1MEN1PKMKMT2A | |
| SCHEMBL22399206 | 0.70 | ACHE (0.68) | ACHEJAK1TYK2JAK3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103080104-B | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | NOVARTIS AG | 2015-04-08 | — | — | CN | disclosed |