Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | BLM | P54132 | 3/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14324144 | 0.99 | SLC7A5 (0.40) | SLC7A5CYP3A4CYP1A2KDM4ELMNA | |
| SCHEMBL19508746 | 0.89 | KIF11 (0.35) | SLC7A5CYP3A4CYP1A2KDM4ELMNA | |
| SCHEMBL1670197 | 0.87 | CYP3A4 (0.33) | SLC7A5CYP3A4CYP1A2KDM4ELMNA | |
| SCHEMBL17642359 | 0.87 | CYP3A4 (0.33) | SLC7A5CYP3A4CYP1A2KDM4ELMNA | |
| SCHEMBL17642070 | 0.87 | CYP3A4 (0.33) | SLC7A5CYP3A4CYP1A2KDM4ELMNA | |
| SCHEMBL1670151 | 0.86 | CYP3A4 (0.33) | SLC7A5CYP3A4CYP1A2KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL8512109 | 0.86 | CYP3A4 (0.33) | SLC7A5CYP3A4KDM4ELMNAMAPT | |
| SCHEMBL14324382 | 0.86 | CYP3A4 (0.33) | SLC7A5CYP3A4KDM4ELMNAMAPT | |
| SCHEMBL17642073 | 0.86 | CYP3A4 (0.33) | SLC7A5CYP3A4CYP1A2KDM4ELMNA | |
| SCHEMBL29363279 | 0.85 | SLC7A5 (0.43) | SLC7A5CYP3A4CYP1A2KDM4ELMNA |
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-2486019-B1 | METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE | TETRAHEDRON (FR) | 2015-03-25 | — | — | EP | disclosed |
| EP-2486019-A1 | METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE | Tetrahedron (FR) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011042478-A1 | METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE | TETRAHEDRON (FR) | 2011-04-14 | — | — | WO | disclosed |