Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | SLC22A4 | Q9H015 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17642070 | 1.00 | CYP3A4 (0.33) | CYP3A4SLC7A5KIF11KDM4EMEN1 | |
| SCHEMBL17642359 | 1.00 | CYP3A4 (0.33) | CYP3A4SLC7A5KIF11KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL8512109 | 0.99 | CYP3A4 (0.33) | CYP3A4SLC7A5KIF11KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL19210841 | 0.98 | CYP3A4 (0.32) | CYP3A4SLC7A5KIF11CYP1A2 | |
| Hydrochloric Acid SCHEMBL8509686 | 0.98 | CYP3A4 (0.32) | CYP3A4SLC7A5KIF11CYP1A2 | |
| SCHEMBL19499932 | 0.93 | SLC7A5 (0.32) | CYP3A4SLC7A5KIF11 | |
| SCHEMBL19499943 | 0.92 | POLB (0.41) | CYP3A4SLC7A5KIF11SLC22A4 | |
| SCHEMBL1670094 | 0.87 | SLC7A5 (0.41) | CYP3A4SLC7A5KDM4EMEN1LMNA | |
| Hydrochloric Acid SCHEMBL14324144 | 0.85 | SLC7A5 (0.40) | CYP3A4SLC7A5KDM4EMEN1LMNA | |
| SCHEMBL19508746 | 0.85 | KIF11 (0.35) | CYP3A4SLC7A5KIF11KDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2486020-B1 | METHOD FOR THE SYNTHESIS OF ERGOTHIONEINE AND THE LIKE | TETRAHEDRON (FR) | 2017-08-16 | — | — | EP | disclosed |
| EP-2486020-A1 | METHOD FOR THE SYNTHESIS OF ERGOTHIONEINE AND THE LIKE | Tetrahedron (FR) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011042480-A1 | METHOD FOR THE SYNTHESIS OF ERGOTHIONEINE AND THE LIKE | TETRAHEDRON (FR) | 2011-04-14 | — | — | WO | disclosed |