Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | CTSA | P10619 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.31 |
| ▸ | OXTR | P30559 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6870941 | 0.87 | ACHE (0.40) | ACHESMN1; SMN2KDM4EATMHSP90AA1 | |
| SCHEMBL6862219 | 0.86 | KDM4E (0.35) | SMN1; SMN2KDM4EATMHSP90AA1ALDH1A1 | |
| SCHEMBL6868447 | 0.84 | KDM4E (0.41) | SMN1; SMN2KDM4EALDH1A1FLT3GRIN2B | |
| SCHEMBL6016620 | 0.81 | ACHE (0.36) | ACHESMN1; SMN2KDM4EATMHSP90AA1 | |
| SCHEMBL6868900 | 0.79 | TDO2 (0.39) | SMN1; SMN2KDM4EALDH1A1GRIN2BGPBAR1 | |
| SCHEMBL6870731 | 0.77 | ACHE (0.44) | ACHEALDH1A1GABRG2GABRB3GABRA5 | |
| SCHEMBL6016513 | 0.75 | ACHE (0.39) | ACHESMN1; SMN2KDM4EATMHSP90AA1 | |
| SCHEMBL6870940 | 0.73 | KDM4E (0.41) | SMN1; SMN2KDM4EATMALDH1A1PIK3CA | |
| SCHEMBL6016704 | 0.71 | ACHE (0.39) | ACHEALDH1A1 | |
| SCHEMBL6866783 | 0.70 | CHRM2 (0.43) | SMN1; SMN2KDM4EALDH1A1HTR7 |
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-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 |