Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.66 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 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 | |
|---|---|---|---|---|
| SCHEMBL6534257 | 0.90 | GRIN2D (0.60) | EGFRGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL14691792 | 0.87 | EGFR (0.52) | EGFRGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28403687 | 0.82 | KDM4E (0.67) | KMT2AHTR3AKDM4EGAAL3MBTL1 | |
| SCHEMBL14691861 | 0.81 | GBA1 (0.51) | EGFRGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL14692340 | 0.79 | EGFR (0.44) | EGFRGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL15140459 | 0.77 | GRIN2D (0.45) | EGFRGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL14691994 | 0.76 | EGFR (0.60) | EGFRGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL19989300 | 0.75 | ALDH1A1 (0.50) | KMT2AHTR3AKDM4EGAAL3MBTL1 | |
| SCHEMBL14691783 | 0.74 | GBA1 (0.46) | EGFRGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6159158 | 0.74 | EGFR (0.50) | EGFRKDM4EL3MBTL1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |