Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | EDNRB | P24530 | 1/20 | 0.47 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | MC3R | P41968 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL777871 | 0.83 | GABBR2 (0.53) | CYP2C19CYP2D6CES2CES1LMNA | |
| SCHEMBL11017601 | 0.82 | SLC6A3 (0.50) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL1383474 | 0.80 | CYP2C19 (0.67) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL2655629 | 0.79 | CES2 (0.48) | CYP2D6CES2CES1LMNAMAPK1 | |
| SCHEMBL22319291 | 0.79 | CES2 (0.48) | CYP2D6CES2CES1LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL29096814 | 0.78 | CYP2C19 (0.65) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL9105247 | 0.78 | ALDH1A1 (0.63) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5011439 | 0.78 | CYP2C19 (0.65) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL7757013 | 0.78 | TSHR (0.57) | CYP2C19CYP1A2SMN1; SMN2NPSR1CES2 | |
| SCHEMBL1847912 | 0.77 | BCAT2 (0.58) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103739547-B | The synthetic method of 2-[6-methoxyl group-3-(2,3-dichlorophenyl) methyl-4-oxo-Isosorbide-5-Nitrae-dihydro-1 (4H)-quinolyl] acetic acid | SHENYANG PHARMACEUTICAL UNIVERSITY (CN) | 2015-09-02 | — | — | CN | disclosed |
| CN-103739547-A | Synthesis method of 2-[6-methoxy-3-(2,3-dichlorophenyl)methyl-4-oxo-1,4-dihydro-1(4H)-quinolyl] acetic acid | UNIV SHENYANG PHARMACEUTICAL | 2014-04-23 | — | — | CN | disclosed |
| EP-1077701-A4 | ANTI-VIRAL COMPOUNDS | LILLY CO ELI (US) | 2002-03-20 | — | — | EP | disclosed |
| US-6358971-B1 | FOR INHIBITING THE GROWTH OF A PICORNAVIRUS | ELI LILLY AND COMPANY | 2002-03-19 | — | — | US | disclosed |
| CN-1292697-A | Anti-viral compound | LILLY CO ELI (US) | 2001-04-25 | — | — | CN | disclosed |
| EP-1077701-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059587-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1999-11-25 | — | — | WO | disclosed |