Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4063953 | 0.88 | ALDH1A1 (0.47) | ALDH1A1NPSR1LMNAMTNR1AMTNR1B | |
| SCHEMBL5778107 | 0.81 | ALDH1A1 (0.49) | ALDH1A1NPSR1LMNAMTNR1BPOLB | |
| SCHEMBL4071728 | 0.80 | ALDH1A1 (0.48) | ALDH1A1NPSR1LMNAPOLBMAPT | |
| SCHEMBL4068347 | 0.75 | POLB (0.43) | ALDH1A1LMNAMTNR1AMTNR1BPOLB | |
| SCHEMBL4064313 | 0.74 | KCNH2 (0.53) | — | |
| SCHEMBL4069719 | 0.73 | SUV39H2 (0.48) | ALDH1A1NPSR1LMNAMTNR1BACHE | |
| SCHEMBL4068253 | 0.71 | KCNH2 (0.48) | ALDH1A1NPSR1LMNA | |
| SCHEMBL4066048 | 0.71 | KCNH2 (0.57) | — | |
| SCHEMBL4064039 | 0.70 | NCF1 (0.53) | ALDH1A1MTNR1AMTNR1BDRD4DRD2 | |
| SCHEMBL4068344 | 0.70 | KCNH2 (0.42) | POLBDRD4DRD2HTR1A |
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-1605938-A4 | ANTIBACTERIAL AGENTS | GLAXO GROUP LTD (GB) | 2006-11-22 | — | — | EP | disclosed |
| EP-1605938-A2 | ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004087145-A2 | ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2004-10-14 | — | — | WO | disclosed |