Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6861977 | 0.96 | MEN1 (0.45) | MAPK14MEN1KMT2APIK3CAPIK3CG | |
| SCHEMBL6868470 | 0.88 | MAPK14 (0.44) | MAPK14MEN1KMT2APIK3CAPIK3CG | |
| SCHEMBL6869576 | 0.87 | KDM4E (0.47) | MAPK14KDM4EHTR2ANPC1ALDH1A1 | |
| SCHEMBL6869910 | 0.84 | KDM4E (0.50) | MAPK14MEN1KMT2AKDM4EHTR2A | |
| SCHEMBL6871246 | 0.82 | KDM4E (0.52) | MAPK14MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6016306 | 0.80 | PRKAB2 (0.46) | MAPK14KDM4EHTR2AHTR2CALDH1A1 | |
| SCHEMBL6862514 | 0.79 | CNR1 (0.48) | MEN1KMT2AKDM4EHTR2CALDH1A1 | |
| SCHEMBL6869721 | 0.78 | KDM4E (0.53) | MAPK14MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6868900 | 0.76 | TDO2 (0.39) | KDM4EALDH1A1SMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL6016414 | 0.76 | PRKAB2 (0.47) | MAPK14KDM4EHTR2AHTR2CALDH1A1 |
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 |