Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 3/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6862224 | 0.87 | ACHE (0.37) | ACHEKDM4ESMN1; SMN2ATMPIK3CA | |
| SCHEMBL6870940 | 0.85 | KDM4E (0.41) | KDM4ESMN1; SMN2ATMCACNA1HCACNA1B | |
| SCHEMBL6872471 | 0.82 | KDM4E (0.47) | KDM4ESMN1; SMN2CACNA1HCACNA1BCHEK2 | |
| SCHEMBL6866149 | 0.77 | KDM4E (0.44) | KDM4ESMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL6016620 | 0.77 | ACHE (0.36) | ACHEKDM4ESMN1; SMN2ATMMEN1 | |
| SCHEMBL6862219 | 0.74 | KDM4E (0.35) | KDM4ESMN1; SMN2ATMCACNA1BCHEK2 | |
| SCHEMBL6016513 | 0.72 | ACHE (0.39) | ACHEKDM4ESMN1; SMN2ATMKMT2A | |
| SCHEMBL6016704 | 0.72 | ACHE (0.39) | ACHEMEN1KMT2A | |
| SCHEMBL6870731 | 0.72 | ACHE (0.44) | ACHE | |
| SCHEMBL6869806 | 0.70 | ACHE (0.42) | ACHEKDM4ESMN1; SMN2ALOX5MAPK1 |
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 |