Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.54 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6501990 | 0.86 | CYP3A4 (0.51) | CYP3A4HPGDTDP1L3MBTL1POLB | |
| SCHEMBL28515084 | 0.81 | NR1H2 (0.56) | CYP3A4HPGDTDP1L3MBTL1NR1H2 | |
| Ethyl Everninate SCHEMBL1640418 | 0.80 | CYP3A4 (1.00) | CYP3A4HPGDTDP1L3MBTL1NR1H2 | |
| Ethyl Everninate SCHEMBL31233848 | 0.80 | CYP3A4 (1.00) | CYP3A4HPGDTDP1L3MBTL1NR1H2 | |
| SCHEMBL17779160 | 0.79 | CYP3A4 (0.74) | CYP3A4HPGDTDP1L3MBTL1NR1H2 | |
| SCHEMBL21437884 | 0.78 | EGFR (0.54) | CYP3A4HPGDL3MBTL1POLBKDM4E | |
| SCHEMBL21437412 | 0.78 | POLB (0.59) | CYP3A4HPGDPOLBNR4A1EGFR | |
| SCHEMBL29591243 | 0.78 | POLB (0.59) | CYP3A4HPGDPOLBNR4A1EGFR | |
| SCHEMBL19462926 | 0.77 | CYP3A4 (0.43) | CYP3A4HPGDTDP1L3MBTL1POLB | |
| SCHEMBL12770781 | 0.75 | CYP3A4 (0.68) | CYP3A4HPGDTDP1L3MBTL1NR1H2 |
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-2017180248-A1 | ENANTIOENRICHED VIRIDICATUMTOXIN B ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-10-19 | — | — | WO | disclosed |