Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4581976 | 0.90 | KIT (0.44) | — | |
| SCHEMBL4726941 | 0.90 | PDGFRB (0.49) | — | |
| SCHEMBL4582417 | 0.87 | MEN1 (0.55) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4583687 | 0.86 | KDM4E (0.47) | MEN1KMT2A | |
| SCHEMBL4581737 | 0.85 | ALDH1A1 (0.54) | MEN1KMT2A | |
| SCHEMBL4582720 | 0.83 | ALDH1A1 (0.50) | KMT2A | |
| SCHEMBL4729809 | 0.82 | MEN1 (0.48) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4583245 | 0.80 | POLB (0.51) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4778929 | 0.80 | — | — | |
| SCHEMBL4585182 | 0.80 | ALDH1A1 (0.53) | — |
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 1 patent. 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 |