Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 5/20 | 0.58 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.56 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 9/20 | 0.50 |
| ▸ | MEN1 | O00255 | 8/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29612962 | 1.00 | CTSD (0.58) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL29612954 | 0.87 | MAPT (0.63) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL28760799 | 0.87 | MAPT (0.63) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL29612958 | 0.86 | CTSD (0.63) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL28760817 | 0.86 | CTSD (0.63) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL28760746 | 0.83 | HSPD1 (0.56) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL29612946 | 0.83 | HSPD1 (0.56) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL24118880 | 0.78 | SMN1; SMN2 (0.67) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL28760809 | 0.78 | CTSD (0.64) | CTSDHSPD1HSPE1MAPTMEN1 | |
| SCHEMBL29612924 | 0.78 | CTSD (0.64) | CTSDHSPD1HSPE1MAPTMEN1 |
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-114524780-A | Mercaptobenzothiazole urea compound, pharmaceutical preparation, preparation method and application | 绍兴市上虞区武汉理工大学高等研究院 | 2022-05-24 | — | — | CN | disclosed |