Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 4/20 | 0.41 |
| ▸ | CDK8 | P49336 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PAICS | P22234 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | PRKD1 | Q15139 | 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 | |
|---|---|---|---|---|
| Dimethylaminoethanol SCHEMBL6871396 | 0.96 | ALDH1A1 (0.49) | KDM4EALDH1A1SMN1; SMN2CCNCCDK8 | |
| SCHEMBL6871399 | 0.89 | ALDH1A1 (0.48) | KDM4EALDH1A1SMN1; SMN2CCNCCDK8 | |
| SCHEMBL6866149 | 0.83 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2PAICS | |
| SCHEMBL6862186 | 0.81 | HTR1B (0.47) | KDM4EALDH1A1SMN1; SMN2CYSLTR1 | |
| SCHEMBL6866620 | 0.81 | ALDH1A1 (0.44) | KDM4EALDH1A1SMN1; SMN2POLB | |
| SCHEMBL6862736 | 0.80 | KDM4E (0.43) | KDM4EALDH1A1SMN1; SMN2PAICS | |
| SCHEMBL6862171 | 0.79 | PIM1 (0.48) | KDM4EALDH1A1CCNCCDK8PIM1 | |
| SCHEMBL6861974 | 0.79 | HTR7 (0.56) | KDM4EALDH1A1SMN1; SMN2 | |
| Dimethylaminoethanol SCHEMBL6868764 | 0.78 | HTR1B (0.43) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6872471 | 0.77 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2 |
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 |