Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 4/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | DRD1 | P21728 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL29901385 | 1.00 | HRH3 (0.57) | HRH3CYP2D6CYP2C19PPARGPPARA | |
| Hydrochloric Acid SCHEMBL30516224 | 0.98 | HRH3 (0.55) | HRH3CYP2D6CYP2C19PPARGPPARA | |
| SCHEMBL10652720 | 0.95 | HRH3 (0.51) | HRH3CYP2D6CYP2C19PPARGPPARA | |
| SCHEMBL844392 | 0.89 | CYP2D6 (0.55) | HRH3CYP2D6CYP2C19PPARGPPARA | |
| SCHEMBL6439932 | 0.84 | CYP2D6 (0.53) | CYP2D6CYP2C19PPARGPPARAHRH1 | |
| SCHEMBL8507125 | 0.81 | CYP2D6 (0.59) | HRH3CYP2D6CYP2C19HRH1CHRM2 | |
| SCHEMBL11260775 | 0.81 | CYP2D6 (0.50) | CYP2D6CYP2C19PPARGPPARAHRH1 | |
| SCHEMBL13220768 | 0.81 | CYP2D6 (0.50) | CYP2D6CYP2C19PPARGPPARAHRH1 | |
| SCHEMBL434743 | 0.79 | CYP2D6 (0.56) | CYP2D6CYP2C19PPARGPPARAHRH1 | |
| SCHEMBL4445537 | 0.79 | CYP2D6 (0.72) | HRH3CYP2D6CYP2C19PPARGPPARA |
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-0113572-B1 | PYRIDINE DERIVATIVES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1988-02-03 | — | — | EP | disclosed |
| US-4547506-A | 2-Pyridylaminoakylamino-4-pyrimidones useful as histamine H1 -antagonists | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-10-15 | — | — | US | disclosed |
| EP-0113572-A2 | Pyridine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-07-18 | — | — | EP | disclosed |