Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.43 |
| ▸ | SCN1A | P35498 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7017484 | 0.85 | CYP2D6 (0.48) | CYP2D6KDM4EALDH1A1HSD17B10SLC6A4 | |
| SCHEMBL6988402 | 0.81 | CYP2D6 (0.44) | NCF1CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL6484668 | 0.80 | NCF1 (0.58) | NCF1CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL5757621 | 0.80 | NCF1 (0.58) | NCF1CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL6484670 | 0.80 | NCF1 (0.58) | NCF1CYP2D6KDM4EALDH1A1HSD17B10 | |
| SCHEMBL5648287 | 0.78 | CYP2D6 (0.47) | CYP2D6KDM4EALDH1A1HSD17B10SLC6A4 | |
| SCHEMBL6646680 | 0.78 | CYP2D6 (0.47) | CYP2D6KDM4EALDH1A1HSD17B10SLC6A4 | |
| SCHEMBL6985890 | 0.78 | CCR8 (0.49) | KDM4EALDH1A1KCNH2HTR1A | |
| SCHEMBL6636311 | 0.73 | NCF1 (1.00) | NCF1HSD17B10CYP3A4HTR1A | |
| SCHEMBL6971430 | 0.73 | NCF1 (0.49) | NCF1CYP2D6KDM4EALDH1A1HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343780-A1 | PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS | SMITHKLINE BEECHAM PLC (GB) | 2003-09-17 | — | — | EP | disclosed |
| EP-1343765-A1 | QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002050061-A1 | PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-06-27 | — | — | WO | disclosed |
| WO-2002050040-A1 | QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2002-06-27 | — | — | WO | disclosed |