Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 7/20 | 0.38 |
| ▸ | FEN1 | P39748 | 7/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 7/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.35 |
| ▸ | GRK6 | P43250 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | DNASE1 | P24855 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
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 | 0.88 | SLC7A5 (0.43) | PDE10AERCC1FEN1ERCC4NTRK1 | |
| SCHEMBL28061565 | 0.88 | SLC7A5 (0.43) | PDE10AERCC1FEN1ERCC4NTRK1 | |
| SCHEMBL25754931 | 0.67 | PIN1 (0.58) | ERCC1FEN1ERCC4GRK6KMT2A | |
| SCHEMBL2900702 | 0.66 | KDM4E (0.57) | ERCC1FEN1ERCC4KMT2A | |
| SCHEMBL10847030 | 0.63 | CYP3A4 (0.53) | — | |
| SCHEMBL17269663 | 0.63 | GAA (0.47) | PDE10AKMT2A | |
| SCHEMBL163444 | 0.63 | CYP3A4 (0.71) | KMT2A | |
| SCHEMBL1537285 | 0.63 | CYP3A4 (0.71) | KMT2A | |
| SCHEMBL11159530 | 0.62 | HRH1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL28331180 | 0.62 | CYP3A4 (0.69) | KMT2A |
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 |