Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.58 |
| ▸ | GRM2 | Q14416 | 6/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5750446 | 0.79 | HTR1B (0.67) | HTR1BHTR2BGPR65ADORA3ADORA2A | |
| SCHEMBL5749062 | 0.77 | HTR1B (0.60) | HTR1BHTR2BGPR65ADORA3ADORA2A | |
| SCHEMBL5748124 | 0.75 | HTR1B (0.62) | HTR1BHTR2BGPR65ADORA3ADORA2A | |
| Maleic Acid SCHEMBL5773984 | 0.75 | HTR1B (0.80) | HTR1BHTR2BGPR65GRM2ADORA2A | |
| Fumaric Acid SCHEMBL5773986 | 0.75 | HTR1B (0.80) | HTR1BHTR2BGPR65GRM2ADORA2A | |
| SCHEMBL5747074 | 0.75 | HTR1B (0.58) | HTR1BHTR2BGPR65DYRK1ATSHR | |
| SCHEMBL375979 | 0.74 | HTR1B (1.00) | HTR1BHTR2BGPR65ADORA2AMAPK14 | |
| SCHEMBL7076008 | 0.73 | HTR1B (0.56) | HTR1BHTR2BGPR65ADORA3ADORA2A | |
| SCHEMBL8469545 | 0.73 | HTR1B (0.97) | HTR1BHTR2BGPR65ADORA2AMAPK14 | |
| Hydrochloric Acid SCHEMBL5746097 | 0.73 | HTR1B (0.97) | HTR1BHTR2BGPR65ADORA2AMAPK14 |
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-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | claimed |
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |