Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6869910 | 0.90 | KDM4E (0.50) | KDM4EADORA2AADORA1ALDH1A1POLB | |
| SCHEMBL6869576 | 0.87 | KDM4E (0.47) | KDM4EADORA2AADORA1ALDH1A1POLB | |
| SCHEMBL6868470 | 0.86 | MAPK14 (0.44) | GAAATMALDH1A1KMT2AHTR2A | |
| SCHEMBL6871248 | 0.82 | ALDH1A1 (0.60) | KDM4EGAAALDH1A1POLBLMNA | |
| SCHEMBL6862515 | 0.80 | CNR1 (0.52) | KDM4EGAAATMALDH1A1LMNA | |
| SCHEMBL6861977 | 0.76 | MEN1 (0.45) | KDM4EADORA2AADORA1ALDH1A1KMT2A | |
| SCHEMBL6016307 | 0.76 | ALDH1A1 (0.43) | GAAATMADORA2AADORA1ALDH1A1 | |
| SCHEMBL6868466 | 0.75 | MAPK14 (0.43) | KDM4EADORA2AADORA1ALDH1A1KMT2A | |
| SCHEMBL24177773 | 0.74 | ATM (0.77) | KDM4EGAAATMALDH1A1LMNA | |
| SCHEMBL19949256 | 0.71 | GRM2 (0.56) | KDM4EADORA2AADORA1POLBHTR2A |
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 |