Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7950544 | 0.88 | NR1H2 (0.43) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL24658818 | 0.88 | NR1H2 (0.43) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL2349096 | 0.87 | NR1H2 (0.36) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL2354523 | 0.87 | NR1H2 (0.36) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL2349092 | 0.87 | NR1H2 (0.36) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL18990533 | 0.87 | NR1H2 (0.36) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL12767483 | 0.84 | NR1H2 (0.35) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL22298828 | 0.84 | SPHK1 (0.33) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL24092268 | 0.80 | USP2 (0.38) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 | |
| SCHEMBL26532045 | 0.80 | USP2 (0.38) | NR1H2SPHK1HCRTR2SMN1; SMN2USP2 |
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-3066102-B1 | MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B | EISAI R&D MAN CO LTD (JP) | 2020-02-26 | — | — | EP | disclosed |