Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 8/20 | 0.37 |
| ▸ | PPARA | Q07869 | 8/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6870727 | 0.88 | ITGB1 (0.35) | SLC6A9TOP1 | |
| SCHEMBL6868884 | 0.86 | ATR (0.35) | PPARGPPARASLC6A9KDM4EALDH1A1 | |
| SCHEMBL6869806 | 0.86 | ACHE (0.42) | PPARGPPARAALOX5SLC6A9TOP1 | |
| SCHEMBL6870397 | 0.81 | HTR7 (0.37) | SLC6A9KDM4EALDH1A1HPGDAKR1C3 | |
| SCHEMBL6862186 | 0.79 | HTR1B (0.47) | SLC6A9FDPSKDM4EALDH1A1HPGD | |
| SCHEMBL6862444 | 0.78 | HTR1B (0.48) | SLC6A9FDPSKDM4EALDH1A1HTR2C | |
| Dimethylaminoethanol SCHEMBL6868764 | 0.78 | HTR1B (0.43) | PPARGPPARASLC6A9FDPSKDM4E | |
| SCHEMBL6870731 | 0.73 | ACHE (0.44) | SLC6A9TOP1ALDH1A1 | |
| SCHEMBL6870940 | 0.69 | KDM4E (0.41) | ALOX5KDM4EALDH1A1PPARD | |
| SCHEMBL6868769 | 0.69 | HTR1B (0.45) | SLC6A9KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |