Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 4/20 | 0.34 |
| ▸ | CASP5 | P51878 | 4/20 | 0.34 |
| ▸ | CASP4 | P49662 | 3/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2020520 | 0.80 | KMT2A (0.38) | CYP1A2CYP2D6MAPTLMNAKMT2A | |
| SCHEMBL2027503 | 0.80 | SORD (0.45) | CYP1A2CYP2D6MAPTLMNAKMT2A | |
| SCHEMBL2021947 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTKMT2ACASP1 | |
| SCHEMBL3231825 | 0.79 | PGK1 (0.42) | SMN1; SMN2 | |
| SCHEMBL2021817 | 0.76 | LMNA (0.41) | CYP1A2CYP2D6MAPTLMNAKMT2A | |
| SCHEMBL21157766 | 0.75 | CRHBP (0.42) | CYP1A2CYP2D6MAPTKMT2ACASP1 | |
| SCHEMBL3233648 | 0.72 | CHRM3 (0.47) | HRH4CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL2020522 | 0.71 | KMT2A (0.36) | CYP1A2CYP2D6MAPTLMNAKMT2A | |
| SCHEMBL3236763 | 0.69 | CYP1A2 (0.48) | CYP1A2CYP2D6MAPTLMNAKMT2A | |
| SCHEMBL2772556 | 0.69 | CASP1 (0.61) | CYP1A2CYP2D6MAPTKMT2ACASP1 |
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-2010027097-A1 | TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-11 | — | — | WO | disclosed |