Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4882040 | 0.98 | ALOX15 (0.65) | ALOX15HTR4CXCR4PARP1AKT2 | |
| SCHEMBL13512171 | 0.84 | ALOX15 (0.67) | ALOX15HTR4PARP1HTR2BKAT2B | |
| SCHEMBL2675650 | 0.84 | ALOX15 (0.71) | ALOX15HTR4PARP1AKT2GSK3B | |
| SCHEMBL15177859 | 0.82 | ALOX15 (0.63) | ALOX15HTR4PARP1HTR2BKAT2B | |
| SCHEMBL15329166 | 0.81 | ALOX15 (1.00) | ALOX15HTR4PARP1KAT2BALDH1A1 | |
| SCHEMBL14375217 | 0.81 | ALOX15 (0.71) | ALOX15HTR4PARP1KAT2BALDH1A1 | |
| SCHEMBL13512449 | 0.81 | ALOX15 (0.61) | ALOX15HTR4CXCR4PARP1HTR2B | |
| SCHEMBL8574775 | 0.79 | GRIN2B (0.62) | ALOX15HTR2BALDH1A1GRIN2BGRIN1 | |
| SCHEMBL1953418 | 0.78 | ALOX15 (0.85) | ALOX15PARP1KAT2BALDH1A1KDM4E | |
| SCHEMBL4515060 | 0.78 | ALOX15 (0.85) | ALOX15PARP1KAT2BALDH1A1OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904479-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006926-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | WO | disclosed |