Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6868884 | 0.96 | ATR (0.35) | HTR7ATRAKR1C3AKR1C2SLC6A9 | |
| SCHEMBL6868886 | 0.89 | ACHE (0.42) | HTR7ATRAKR1C3AKR1C2SLC6A9 | |
| SCHEMBL6861974 | 0.82 | HTR7 (0.56) | HTR7SLC6A9KDM4EALDH1A1 | |
| SCHEMBL6869801 | 0.81 | PPARG (0.37) | AKR1C3AKR1C2SLC6A9KDM4EALDH1A1 | |
| Dimethylaminoethanol SCHEMBL6869363 | 0.79 | HTR7 (0.52) | HTR7SLC6A9KDM4EALDH1A1 | |
| SCHEMBL6870731 | 0.76 | ACHE (0.44) | SLC6A9ALDH1A1ITGB1ITGA4ACHE | |
| SCHEMBL6869806 | 0.74 | ACHE (0.42) | SLC6A9HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL6868760 | 0.72 | CETP (0.50) | — | |
| SCHEMBL6869721 | 0.72 | KDM4E (0.53) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL6866602 | 0.72 | MEN1 (0.50) | ATREGLN1HSD17B10KDM4EALDH1A1 |
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 8 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 | claimed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | claimed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | claimed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | claimed |
| 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 |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |