Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL752 | 0.87 | CYP1A2 (0.39) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL7302315 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL7292838 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL7292841 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9090387 | 0.71 | KCNH2 (0.39) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL7377666 | 0.69 | KCNH2 (0.39) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL851 | 0.68 | — | — | |
| SCHEMBL9270613 | 0.67 | DRD2 (0.41) | — | |
| SCHEMBL9596253 | 0.67 | TP53 (0.35) | CYP1A2CYP3A4HTR2CHTR2BHTR3A | |
| SCHEMBL9267273 | 0.66 | DRD2 (0.43) | KCNH2 |
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-0353983-B1 | Lactam derivatives | GLAXO GROUP LTD (GB) | 1996-05-29 | — | — | EP | disclosed |
| US-5183820-A | Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia | GLAXO GROUP LIMITED (GB) | 1993-02-02 | — | — | US | disclosed |
| EP-0353983-A2 | Lactam derivatives | GLAXO GROUP LIMITED (GB) | 1990-02-07 | — | — | EP | disclosed |