Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 4/20 | 0.57 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | OGA | O60502 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL554625 | 0.97 | KLKB1 (0.59) | KLKB1GRM2ACHEHSD17B10CYP2C19 | |
| SCHEMBL554314 | 0.91 | KLKB1 (0.62) | KLKB1L3MBTL1ACHEHSD17B10POLB | |
| SCHEMBL553932 | 0.84 | KLKB1 (0.65) | KLKB1GRM2 | |
| SCHEMBL553802 | 0.79 | KLKB1 (0.67) | KLKB1L3MBTL1HSD17B10POLBLMNA | |
| SCHEMBL553854 | 0.78 | HSD17B10 (0.60) | KLKB1GRM2L3MBTL1HSD17B10CYP2C19 | |
| SCHEMBL20119292 | 0.77 | RARA (0.51) | ACHEHSD17B10CYP2C9POLBLMNA | |
| SCHEMBL1909166 | 0.74 | GRM2 (0.53) | KLKB1GRM2HSD17B10LMNANPC1 | |
| SCHEMBL30589683 | 0.74 | GRM2 (0.47) | KLKB1GRM2L3MBTL1HSD17B10LMNA | |
| SCHEMBL553848 | 0.73 | ALDH1A1 (0.60) | KLKB1GRM2L3MBTL1LMNATDP1 | |
| SCHEMBL2821953 | 0.73 | LMNA (0.54) | KLKB1GRM2HSD17B10LMNATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2601189-A1 | N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN | Novartis AG (CH) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012017020-A1 | N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN | NOVARTIS AG (CH) | 2012-02-09 | — | — | WO | disclosed |