Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18063152 | 0.80 | KDM4E (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL21225368 | 0.80 | CYP2D6 (0.46) | CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL11301180 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL705872 | 0.79 | KMT2A (0.42) | CYP3A4CYP2D6KMT2AMEN1ALDH1A1 | |
| SCHEMBL23043010 | 0.78 | MEN1 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL567928 | 0.78 | KDM4E (0.63) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL567927 | 0.78 | KDM4E (0.63) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL1554888 | 0.77 | KDM4E (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL8809190 | 0.77 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL15937151 | 0.76 | — | — |
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-1993023404-A1 | COMPOUNDS THAT MODULATE ENDOTHELIN ACTIVITY | IMMUNOPHARMACEUTICS, INC. (US) | 1993-11-25 | — | — | WO | disclosed |