Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971434 | 1.00 | NCF1 (0.49) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6971430 | 1.00 | NCF1 (0.49) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL10868928 | 0.89 | KCNH2 (0.51) | CYP2D6ALDH1A1HSD17B10KDM4EKCNH2 | |
| SCHEMBL6977351 | 0.83 | ROCK2 (0.51) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6977345 | 0.83 | ROCK2 (0.51) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6977344 | 0.83 | ROCK2 (0.51) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6484668 | 0.80 | NCF1 (0.58) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL5757621 | 0.80 | NCF1 (0.58) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6484670 | 0.80 | NCF1 (0.58) | NCF1CYP2D6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL10869952 | 0.80 | ADRB2 (0.42) | NCF1CYP2D6SLC6A4CYP3A4 |
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-1051413-B1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-04 | — | — | EP | disclosed |
| EP-1051413-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999037635-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 1999-07-29 | — | — | WO | disclosed |