Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPK7 | Q13164 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.38 |
| ▸ | SELP | P16109 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6866454 | 0.88 | POLB (0.39) | CYP3A4ALOX15CYP2C19HSD17B10KDM4E | |
| SCHEMBL6861936 | 0.88 | HTR7 (0.45) | HTR7CYP3A4ALOX15CYP2C19HSD17B10 | |
| SCHEMBL6866691 | 0.86 | RAD52 (0.43) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6868453 | 0.83 | HTR7 (0.41) | HTR7BRAFCYP3A4ALOX15CYP2C19 | |
| SCHEMBL6873427 | 0.81 | PIM1 (0.45) | KDM4EALDH1A1 | |
| SCHEMBL6872236 | 0.80 | NMT2 (0.40) | BRAFKDM4E | |
| SCHEMBL6016320 | 0.74 | MAPK14 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL6869463 | 0.73 | ATM (0.43) | CYP3A4ALOX15CYP2C19HSD17B10KDM4E | |
| SCHEMBL6869416 | 0.72 | ATM (0.50) | KDM4EALDH1A1SMN1; SMN2ATM | |
| SCHEMBL6862307 | 0.72 | CSNK2A1 (0.43) | KDM4EALDH1A1SMN1; SMN2ATM |
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 |