Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL11683981 | 0.70 | CYP2C9 (0.71) | CYP3A4ALDH1A1MAPTCACNA1FCYP2C9 | |
| SCHEMBL1864208 | 0.67 | CYP3A4 (0.43) | CYP3A4ALDH1A1LMNAHCAR2VNN1 | |
| SCHEMBL11884797 | 0.64 | CYP2C9 (0.47) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| SCHEMBL8675159 | 0.63 | LMNA (0.35) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL7525878 | 0.63 | OPRM1 (0.69) | CYP3A4ALDH1A1LMNAVNN1MEN1 | |
| SCHEMBL1865507 | 0.62 | ALDH1A1 (0.42) | CYP3A4ALDH1A1LMNACYP11B1CYP11B2 | |
| SCHEMBL246083 | 0.62 | CHRNB2 (0.43) | CYP3A4ALDH1A1LMNAHCAR2CYP1A2 | |
| SCHEMBL1860147 | 0.62 | HTR2A (0.38) | CYP3A4ALDH1A1LMNAHCAR2VNN1 | |
| SCHEMBL1866073 | 0.62 | HTR2A (0.38) | CYP3A4ALDH1A1LMNAHCAR2VNN1 | |
| SCHEMBL11240260 | 0.62 | VNN1 (0.43) | ALDH1A1LMNAHCAR2VNN1MEN1 |
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-2011053705-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-05-05 | — | — | WO | disclosed |