Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4582847 | 0.93 | CYP1A2 (0.52) | EGFRCYP1A2CYP2D6PAK1PDGFRB | |
| SCHEMBL4583190 | 0.93 | CYP1A2 (0.53) | CYP1A2CYP2D6PAK1PDGFRBMEN1 | |
| SCHEMBL4728075 | 0.88 | KDM4E (0.44) | ALDH1A1MAPTMAPK1 | |
| SCHEMBL4582925 | 0.86 | PAK1 (0.57) | CYP1A2CYP2D6PAK1PDGFRBMEN1 | |
| SCHEMBL4726802 | 0.86 | PAK1 (0.54) | CYP1A2CYP2D6PAK1PDGFRBMEN1 | |
| SCHEMBL4584207 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP2D6PAK1PDGFRBMEN1 | |
| SCHEMBL4583402 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2D6PAK1PDGFRBMEN1 | |
| SCHEMBL4583169 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2D6PAK1PDGFRBALDH1A1 | |
| SCHEMBL4582328 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2D6PAK1PDGFRBMEN1 | |
| SCHEMBL4583131 | 0.81 | PDGFRB (0.53) | CYP1A2CYP2D6PAK1PDGFRBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008028690-A1 | 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-13 | — | — | WO | claimed |
| WO-2008028690-A1 | 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-13 | — | — | WO | disclosed |