Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1865938 | 0.72 | HTR2A (0.38) | CYP3A4BACE1LMNAKMT2AALDH1A1 | |
| SCHEMBL1860147 | 0.72 | HTR2A (0.38) | CYP3A4BACE1LMNAKMT2AALDH1A1 | |
| SCHEMBL1866073 | 0.72 | HTR2A (0.38) | CYP3A4BACE1LMNAKMT2AALDH1A1 | |
| SCHEMBL6588437 | 0.67 | BACE1 (0.50) | CYP3A4BACE1LMNAKMT2ABACE2 | |
| SCHEMBL1861291 | 0.67 | CYP3A4 (0.39) | CYP3A4LMNAKMT2ACYP2C9BLM | |
| SCHEMBL1863575 | 0.67 | CHRNB2 (0.37) | CYP3A4LMNAKMT2AALDH1A1NISCH | |
| SCHEMBL1865507 | 0.66 | ALDH1A1 (0.42) | CYP3A4BACE1LMNAKMT2AALDH1A1 | |
| SCHEMBL11683981 | 0.65 | CYP2C9 (0.71) | CYP3A4CYP2C9BLMPMP22ALDH1A1 | |
| SCHEMBL7525878 | 0.64 | OPRM1 (0.69) | CYP3A4LMNAKMT2ACYP2C9ALDH1A1 | |
| SCHEMBL1862411 | 0.63 | ALDH1A1 (0.40) | CYP3A4LMNAKMT2AALDH1A1HCAR2 |
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-2493877-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | Janssen Pharmaceutica NV (BE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011053705-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-05-05 | — | — | WO | disclosed |