Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WNT1 | P04628 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.37 |
| ▸ | IKZF2 | Q9UKS7 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 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 SCHEMBL4883824 | 0.98 | WNT1 (0.41) | WNT1GSK3BDYRK1ACXCR3SCN9A | |
| SCHEMBL15014498 | 0.83 | ALDH1A1 (0.49) | WNT1GSK3BDYRK1ASCN9ATNKS | |
| SCHEMBL12424465 | 0.80 | SCN9A (0.41) | WNT1GSK3BDYRK1ASCN9ATNKS | |
| SCHEMBL17289014 | 0.80 | TNKS (0.46) | WNT1GSK3BDYRK1ASCN9ATNKS | |
| SCHEMBL22432752 | 0.80 | SCN9A (0.42) | WNT1GSK3BDYRK1ASCN9ATNKS | |
| SCHEMBL22547944 | 0.79 | WNT1 (0.37) | WNT1GSK3BDYRK1ASCN9AROCK2 | |
| SCHEMBL12384434 | 0.79 | SCN9A (0.43) | WNT1GSK3BDYRK1ASCN9ATNKS | |
| SCHEMBL22432726 | 0.79 | SCN9A (0.47) | WNT1GSK3BDYRK1ASCN9ATNKS | |
| SCHEMBL4621335 | 0.79 | CXCR3 (0.60) | CXCR3SIGMAR1CYP2D6HRH1OPRM1 | |
| SCHEMBL803082 | 0.78 | SCN9A (0.40) | WNT1GSK3BDYRK1ASCN9ATNKS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101243071-A | 2, 4-dianilinopyrimidine derivatives, their preparation, their use as medicaments, pharmaceutical compositions and in particular as IKK inhibitors | SANOFI AVENTIS (FR) | 2008-08-13 | — | — | CN | disclosed |
| 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 |