Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | HTR3A | P46098 | 2/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9293517 | 0.99 | CASP6 (0.56) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL7294442 | 0.83 | HTR2A (0.39) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL9596706 | 0.75 | CYP3A4 (0.68) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Maleic Acid SCHEMBL7433810 | 0.74 | KCNH2 (0.53) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Fumaric Acid SCHEMBL7433823 | 0.74 | KCNH2 (0.53) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL10123935 | 0.74 | KCNH2 (0.66) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL7375451 | 0.72 | KCNH2 (0.55) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL979 | 0.72 | HTR2A (0.63) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL1484 | 0.72 | KCNH2 (0.62) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL578 | 0.72 | KCNH2 (0.57) | KCNH2CYP3A4CYP1A2HTR2BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| US-5360800-A | Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives | GLAXO GROUP LIMITED (GB) | 1994-11-01 | — | — | US | disclosed |
| EP-0306323-B1 | Lactam derivatives | GLAXO GROUP LTD (GB) | 1994-09-21 | — | — | EP | disclosed |
| US-5229407-A | Administering to humans or animals for treatment of cognitive disorders | GLAXO GROUP LIMITED (GB) | 1993-07-20 | — | — | US | disclosed |
| US-5221687-A | Antidepressants | GLAXO GROUP LIMITED (GB) | 1993-06-22 | — | — | US | disclosed |