Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.40 |
| ▸ | FEN1 | P39748 | 2/20 | 0.40 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL497462 | 1.00 | SLC7A5 (0.43) | SLC7A5CYP3A4PDE10ANTRK1ERCC1 | |
| SCHEMBL28061540 | 0.88 | PDE10A (0.41) | PDE10ANTRK1ERCC1FEN1ERCC4 | |
| SCHEMBL25754931 | 0.72 | PIN1 (0.58) | CYP3A4ERCC1FEN1ERCC4PKM | |
| SCHEMBL13095827 | 0.71 | SLC7A5 (0.54) | SLC7A5CYP3A4PKMALPIPTGS1 | |
| SCHEMBL59810 | 0.71 | SLC7A5 (0.54) | SLC7A5CYP3A4PKMALPIPTGS1 | |
| SCHEMBL5289317 | 0.71 | SLC7A5 (0.54) | SLC7A5CYP3A4PKMALPIPTGS1 | |
| SCHEMBL4854900 | 0.71 | SLC7A5 (0.54) | SLC7A5CYP3A4PKMALPIPTGS1 | |
| SCHEMBL59078 | 0.71 | SLC7A5 (0.54) | SLC7A5CYP3A4PKMALPIPTGS1 | |
| SCHEMBL22403244 | 0.71 | SLC7A5 (0.50) | SLC7A5CYP3A4PKMALPIPTGS1 | |
| SCHEMBL8957140 | 0.70 | SLC7A5 (0.54) | SLC7A5CYP3A4PKMALPIPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102596915-B | The synthetic method of 2-thiolhistidine and analogue | TETRAHEDRON (FR) | 2016-04-20 | — | — | CN | disclosed |