Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542369 | 0.83 | CYP3A4 (0.65) | CYP3A4HPGDMAPK10ALDH1A1MAPK1 | |
| SCHEMBL1542708 | 0.82 | CYP3A4 (0.48) | CYP3A4KDM4EHPGDMAPK10ALDH1A1 | |
| SCHEMBL1542546 | 0.80 | CYP3A4 (0.54) | CYP3A4CNR1CNR2 | |
| SCHEMBL2126941 | 0.76 | CYP3A4 (0.53) | CYP3A4KDM4EHPGDMAPK10ALDH1A1 | |
| SCHEMBL2129460 | 0.74 | CYP3A4 (0.59) | CYP3A4HPGDMAPK10ALDH1A1MAPK1 | |
| SCHEMBL2129383 | 0.73 | CYP3A4 (0.53) | CYP3A4ALDH1A1CDK9MEN1KMT2A | |
| SCHEMBL2127061 | 0.73 | CYP3A4 (0.53) | CYP3A4HPGDALDH1A1CDK9MEN1 | |
| SCHEMBL1542581 | 0.72 | CYP3A4 (1.00) | CYP3A4 | |
| SCHEMBL1542597 | 0.72 | CYP3A4 (0.57) | CYP3A4KDM4EHPGDALDH1A1MAPK1 | |
| SCHEMBL2128420 | 0.72 | CYP3A4 (0.53) | CYP3A4KDM4EHPGDALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |